N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H21NOS — CID 107035256

IUPACN-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(CNC(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H21NOS/c1-9(10-2-3-10)7-13-11(14)6-12(8-15)4-5-12/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyINMXBGBROKJBAC-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.25
Rot. Bonds6

About N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107035256) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107035256
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC(CNC(=O)CC1(CS)CC1)C1CC1
InChIInChI=1S/C12H21NOS/c1-9(10-2-3-10)7-13-11(14)6-12(8-15)4-5-12/h9-10,15H,2-8H2,1H3,(H,13,14)
InChIKeyINMXBGBROKJBAC-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027241
N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107818575
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107034539
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
N-[(4-hydroxycyclohexyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106137808
N-[2-(2-methylpropoxy)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036085
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030418
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
N-(3,3-dimethylbutyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035900
N-methyl-3-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107027283
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
N-(oxan-4-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030024

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107035256) is N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC(CNC(=O)CC1(CS)CC1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is INMXBGBROKJBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(10-2-3-10)7-13-11(14)6-12(8-15)4-5-12/h9-10,15H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 227.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107035256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).