2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide

C14H27NOS — CID 89143246

IUPAC2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide
SMILESCC(C)(C)CC(C(=O)N[C@H]1CC1S)C(C)(C)C
InChIInChI=1S/C14H27NOS/c1-13(2,3)8-9(14(4,5)6)12(16)15-10-7-11(10)17/h9-11,17H,7-8H2,1-6H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeyYBUDZXCFPFQPKD-YVNMAJEFSA-N
MW257.44 g/mol
LogP3.27
Rot. Bonds3

About 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide

2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide (PubChem CID 89143246) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide
PubChem CID89143246
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide
SMILESCC(C)(C)CC(C(=O)N[C@H]1CC1S)C(C)(C)C
InChIInChI=1S/C14H27NOS/c1-13(2,3)8-9(14(4,5)6)12(16)15-10-7-11(10)17/h9-11,17H,7-8H2,1-6H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeyYBUDZXCFPFQPKD-YVNMAJEFSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580420
N-Isopropyl-2,3-dimethyl-2-(1-methylpropyl)valeramide
CID 3016608
2-[1-(sulfanylmethyl)cyclopropyl]-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 105935084
2-tert-butyl-N-propan-2-ylpentanamide
CID 21366388
2,2,3,3-tetramethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 23548823
N,1-diethyl-2-methylcyclopropane-1-carboxamide
CID 54132332
N,2-di(propan-2-yl)cyclopropane-1-carboxamide
CID 57749671
(2R)-2-tert-butyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 59102622
N-(2-mercaptoethyl)-2-ethylhexanamide
CID 59403792
trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide
CID 59801896
cis-(1R,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide
CID 59802046
2,2,3-trimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 59930168

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide (CID 89143246) is 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide is CC(C)(C)CC(C(=O)N[C@H]1CC1S)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide?
The InChIKey is YBUDZXCFPFQPKD-YVNMAJEFSA-N. The full InChI is InChI=1S/C14H27NOS/c1-13(2,3)8-9(14(4,5)6)12(16)15-10-7-11(10)17/h9-11,17H,7-8H2,1-6H3,(H,15,16)/t9?,10-,11?/m0/s1.
What are the key properties of 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide?
2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide has a molecular weight of 257.44 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-N-[(1S)-2-sulfanylcyclopropyl]pentanamide is sourced from PubChem (CID 89143246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).