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

C10H19NOS — CID 107019490

IUPACN-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS/c1-3-8(2)11-9(12)6-10(7-13)4-5-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyXNPGVOMAWOIZGF-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds5

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

N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107019490) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107019490
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCC(C)NC(=O)CC1(CS)CC1
InChIInChI=1S/C10H19NOS/c1-3-8(2)11-9(12)6-10(7-13)4-5-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyXNPGVOMAWOIZGF-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.00
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-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
3-methyl-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 106347336
N-(1-phenylpropan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029228
N-(2-methylpropyl)-2-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]propanamide
CID 107034539
N-[1-(1-adamantyl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019798
N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
N-[(2S)-butan-2-yl]-2-[3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-1-adamantyl]acetamide
CID 7740968
N-(2-piperidin-1-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027241
N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107818575
N-(2-cyclopropylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035256
N-(2-methylsulfanylethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030280
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107019490) is N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCC(C)NC(=O)CC1(CS)CC1.
What is the InChIKey of N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is XNPGVOMAWOIZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-8(2)11-9(12)6-10(7-13)4-5-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 201.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107019490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).