2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide

C16H25N3O3S2 — CID 119623007

IUPAC2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H25N3O3S2/c1-18(2)24(21,22)14-7-10-23-15(14)16(20)19-8-5-13(6-9-19)17-11-12-3-4-12/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3
InChIKeySRXXCWCWLIACGJ-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide

2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide (PubChem CID 119623007) has the molecular formula C16H25N3O3S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
PubChem CID119623007
Molecular FormulaC16H25N3O3S2
Molecular Weight371.53 g/mol
Exact Mass371.13
IUPAC Name2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H25N3O3S2/c1-18(2)24(21,22)14-7-10-23-15(14)16(20)19-8-5-13(6-9-19)17-11-12-3-4-12/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3
InChIKeySRXXCWCWLIACGJ-UHFFFAOYSA-N
XLogP1.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119625506
N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
CID 119577922
N,N-dimethyl-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophene-3-sulfonamide
CID 138999797
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 164640969
2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 120807309
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione;hydrochloride
CID 119623873
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide (CID 119623007) is 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide is CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide?
The InChIKey is SRXXCWCWLIACGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2/c1-18(2)24(21,22)14-7-10-23-15(14)16(20)19-8-5-13(6-9-19)17-11-12-3-4-12/h7,10,12-13,17H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide?
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide has a molecular weight of 371.53 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 119623007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).