N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide

C14H15N5O3S2 — CID 53377865

IUPACN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)C[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C14H15N5O3S2/c1-24(21,22)8-12(16-13(20)10-2-5-23-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyLSHPNJARXOUADM-LBPRGKRZSA-N
MW365.44 g/mol
LogP0.87
Rot. Bonds6

About N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide

N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide (PubChem CID 53377865) has the molecular formula C14H15N5O3S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide
PubChem CID53377865
Molecular FormulaC14H15N5O3S2
Molecular Weight365.44 g/mol
Exact Mass365.06
IUPAC NameN-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)C[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1
InChIInChI=1S/C14H15N5O3S2/c1-24(21,22)8-12(16-13(20)10-2-5-23-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyLSHPNJARXOUADM-LBPRGKRZSA-N
XLogP0.87
TPSA117.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide (CID 53377865) is N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide is CS(=O)(=O)C[C@H](NC(=O)c1ccsc1)c1cn(C2(C#N)CC2)nn1.
What is the InChIKey of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide?
The InChIKey is LSHPNJARXOUADM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N5O3S2/c1-24(21,22)8-12(16-13(20)10-2-5-23-7-10)11-6-19(18-17-11)14(9-15)3-4-14/h2,5-7,12H,3-4,8H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide?
N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfonylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 53377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).