trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

C13H18N2O4S2 — CID 124623703

IUPACtrans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S2/c1-8-4-6-20-12(8)9-7-10(9)13(17)14-5-3-11(16)15-21(2,18)19/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-/m0/s1
InChIKeyZXIPHTORZCLYNP-UWVGGRQHSA-N
MW330.43 g/mol
LogP0.74
Rot. Bonds6

About trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 124623703) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID124623703
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Nametrans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S2/c1-8-4-6-20-12(8)9-7-10(9)13(17)14-5-3-11(16)15-21(2,18)19/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-/m0/s1
InChIKeyZXIPHTORZCLYNP-UWVGGRQHSA-N
XLogP0.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-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 trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 124623703) is trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCC(=O)NS(C)(=O)=O.
What is the InChIKey of trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ZXIPHTORZCLYNP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-8-4-6-20-12(8)9-7-10(9)13(17)14-5-3-11(16)15-21(2,18)19/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,17)(H,15,16)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-(methanesulfonamido)-3-oxopropyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124623703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).