N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H15NOS — CID 107030418

IUPACN-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESC#CCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H15NOS/c1-2-3-6-11-9(12)7-10(8-13)4-5-10/h1,13H,3-8H2,(H,11,12)
InChIKeyGQIOEAVVMUSEJB-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.23
Rot. Bonds5

About N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107030418) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107030418
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESC#CCCNC(=O)CC1(CS)CC1
InChIInChI=1S/C10H15NOS/c1-2-3-6-11-9(12)7-10(8-13)4-5-10/h1,13H,3-8H2,(H,11,12)
InChIKeyGQIOEAVVMUSEJB-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
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-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027241
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
N-but-3-ynylhex-5-ynamide
CID 10630847
1,3-bis(but-3-ynyl)urea
CID 21388713

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107030418) is N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is C#CCCNC(=O)CC1(CS)CC1.
What is the InChIKey of N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is GQIOEAVVMUSEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-6-11-9(12)7-10(8-13)4-5-10/h1,13H,3-8H2,(H,11,12).
What are the key properties of N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 197.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107030418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).