N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide

C14H26N2OS — CID 126603492

IUPACN-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide
SMILESCC(=O)N(C(C)CCC(C)N(S)C1CC1)C1CC1
InChIInChI=1S/C14H26N2OS/c1-10(15(12(3)17)13-6-7-13)4-5-11(2)16(18)14-8-9-14/h10-11,13-14,18H,4-9H2,1-3H3
InChIKeyDQXLAACPGSBYEP-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.86
Rot. Bonds7

About N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide

N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide (PubChem CID 126603492) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide
PubChem CID126603492
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide
SMILESCC(=O)N(C(C)CCC(C)N(S)C1CC1)C1CC1
InChIInChI=1S/C14H26N2OS/c1-10(15(12(3)17)13-6-7-13)4-5-11(2)16(18)14-8-9-14/h10-11,13-14,18H,4-9H2,1-3H3
InChIKeyDQXLAACPGSBYEP-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 102519619
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N-cyclopropyl-2-methyl-N-[(2S)-4-methylpentan-2-yl]propanamide
CID 153298632
2-[cyclopropyl(2-ethylbutanoyl)amino]propanoic acid
CID 120606607
N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
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2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[acetyl(cyclopropyl)amino]-2-cyclohexylacetic acid
CID 63703998
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
N-cyclobutyl-N-(2-methylpropyl)acetamide
CID 143031247
2-[cyclopropyl-(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 119202843
N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
CID 170080558

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide (CID 126603492) is N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide is CC(=O)N(C(C)CCC(C)N(S)C1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide?
The InChIKey is DQXLAACPGSBYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10(15(12(3)17)13-6-7-13)4-5-11(2)16(18)14-8-9-14/h10-11,13-14,18H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide?
N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]acetamide is sourced from PubChem (CID 126603492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).