(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide

C11H17N3O2S — CID 164632183

IUPAC(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide
SMILESCC(C)(C)[C@H](NC(N)=O)C(=O)Nc1ccsc1
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)8(14-10(12)16)9(15)13-7-4-5-17-6-7/h4-6,8H,1-3H3,(H,13,15)(H3,12,14,16)/t8-/m1/s1
InChIKeySYSVBBHMTWBSCK-MRVPVSSYSA-N
MW255.34 g/mol
LogP1.77
Rot. Bonds3

About (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide

(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide (PubChem CID 164632183) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide
PubChem CID164632183
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide
SMILESCC(C)(C)[C@H](NC(N)=O)C(=O)Nc1ccsc1
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)8(14-10(12)16)9(15)13-7-4-5-17-6-7/h4-6,8H,1-3H3,(H,13,15)(H3,12,14,16)/t8-/m1/s1
InChIKeySYSVBBHMTWBSCK-MRVPVSSYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide 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 (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide (CID 164632183) is (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide is CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1ccsc1.
What is the InChIKey of (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The InChIKey is SYSVBBHMTWBSCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2,3)8(14-10(12)16)9(15)13-7-4-5-17-6-7/h4-6,8H,1-3H3,(H,13,15)(H3,12,14,16)/t8-/m1/s1.
What are the key properties of (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide?
(2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide has a molecular weight of 255.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-3,3-dimethyl-N-thiophen-3-ylbutanamide is sourced from PubChem (CID 164632183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).