N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H25NOS — CID 107030242

IUPACN-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)CCC(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H25NOS/c1-10(2)4-5-11(3)14-12(15)8-13(9-16)6-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyZLWCXHQTYLAIGM-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.03
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030242) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030242
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(C)CCC(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C13H25NOS/c1-10(2)4-5-11(3)14-12(15)8-13(9-16)6-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15)
InChIKeyZLWCXHQTYLAIGM-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide 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-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107034539
N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029228
3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 106347336
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
4-methylpentyl 2-[1-(sulfanylmethyl)cyclopropyl]acetate
CID 107018573
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822
N-(4-methylcyclohexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021547
N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107818575

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030242) is N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(C)CCC(C)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is ZLWCXHQTYLAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10(2)4-5-11(3)14-12(15)8-13(9-16)6-7-13/h10-11,16H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 243.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).