N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride

C15H26ClN3O3S2 — CID 120819420

IUPACN-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CCC1N.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-15(2)10-18(9-7-13(15)16)14(19)12-5-4-11(22-12)6-8-17-23(3,20)21;/h4-5,13,17H,6-10,16H2,1-3H3;1H
InChIKeyLODIWJUYSNJZPQ-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.46
Rot. Bonds5

About N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride

N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride (PubChem CID 120819420) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
PubChem CID120819420
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC NameN-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CCC1N.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-15(2)10-18(9-7-13(15)16)14(19)12-5-4-11(22-12)6-8-17-23(3,20)21;/h4-5,13,17H,6-10,16H2,1-3H3;1H
InChIKeyLODIWJUYSNJZPQ-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
CID 27007642
N,N-diethyl-4-[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]piperazine-1-carboxamide
CID 34220105
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]methanone;hydrochloride
CID 120816417
N-[2-[5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24545400
N-[2-[5-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbonyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 51644309
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 120814485
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone;hydrochloride
CID 120818353

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride (CID 120819420) is N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride is CC1(C)CN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CCC1N.Cl.
What is the InChIKey of N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
The InChIKey is LODIWJUYSNJZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c1-15(2)10-18(9-7-13(15)16)14(19)12-5-4-11(22-12)6-8-17-23(3,20)21;/h4-5,13,17H,6-10,16H2,1-3H3;1H.
What are the key properties of N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride?
N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120819420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).