N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

C10H18N2O2S — CID 107027283

IUPACN-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H18N2O2S/c1-11-8(13)2-5-12-9(14)6-10(7-15)3-4-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyBBLPDOHTGWRMPS-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.34
Rot. Bonds6

About N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide

N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (PubChem CID 107027283) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
PubChem CID107027283
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
SMILESCNC(=O)CCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H18N2O2S/c1-11-8(13)2-5-12-9(14)6-10(7-15)3-4-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14)
InChIKeyBBLPDOHTGWRMPS-UHFFFAOYSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide 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-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 107032145
2-[1-(sulfanylmethyl)cyclopropyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 107030144
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The IUPAC name of N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide (CID 107027283) is N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is CNC(=O)CCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
The InChIKey is BBLPDOHTGWRMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-11-8(13)2-5-12-9(14)6-10(7-15)3-4-10/h15H,2-7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide?
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide has a molecular weight of 230.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide is sourced from PubChem (CID 107027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).