N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C15H25N3O3S2 — CID 119996944

IUPACN-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)CN)C2)s1
InChIInChI=1S/C15H25N3O3S2/c1-11(8-16)9-17-15(19)13-4-3-7-18(10-13)23(20,21)14-6-5-12(2)22-14/h5-6,11,13H,3-4,7-10,16H2,1-2H3,(H,17,19)
InChIKeyBBNWRPOCBDAHBM-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.17
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 119996944) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID119996944
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)CN)C2)s1
InChIInChI=1S/C15H25N3O3S2/c1-11(8-16)9-17-15(19)13-4-3-7-18(10-13)23(20,21)14-6-5-12(2)22-14/h5-6,11,13H,3-4,7-10,16H2,1-2H3,(H,17,19)
InChIKeyBBNWRPOCBDAHBM-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 35060631
(3S)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 35060642
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 119996944) is N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCC(C)CN)C2)s1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is BBNWRPOCBDAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-11(8-16)9-17-15(19)13-4-3-7-18(10-13)23(20,21)14-6-5-12(2)22-14/h5-6,11,13H,3-4,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119996944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).