N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C14H19N3O4S2 — CID 97335513

IUPACN-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCOC[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H19N3O4S2/c1-21-10-11(9-15)16-14(18)13-12(5-8-22-13)23(19,20)17-6-3-2-4-7-17/h5,8,11H,2-4,6-7,10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyMPPHIDBPMSKDJI-NSHDSACASA-N
MW357.46 g/mol
LogP1.19
Rot. Bonds6

About N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 97335513) has the molecular formula C14H19N3O4S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID97335513
Molecular FormulaC14H19N3O4S2
Molecular Weight357.46 g/mol
Exact Mass357.08
IUPAC NameN-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCOC[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H19N3O4S2/c1-21-10-11(9-15)16-14(18)13-12(5-8-22-13)23(19,20)17-6-3-2-4-7-17/h5,8,11H,2-4,6-7,10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyMPPHIDBPMSKDJI-NSHDSACASA-N
XLogP1.19
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 47031140
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 91769681
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60618643
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 97335513) is N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is COC[C@H](C#N)NC(=O)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MPPHIDBPMSKDJI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O4S2/c1-21-10-11(9-15)16-14(18)13-12(5-8-22-13)23(19,20)17-6-3-2-4-7-17/h5,8,11H,2-4,6-7,10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 97335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).