N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide

C15H28N2OS — CID 114457879

IUPACN-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
SMILESCCC(CC)(NC(=O)CC1CCCCCC1)C(N)=S
InChIInChI=1S/C15H28N2OS/c1-3-15(4-2,14(16)19)17-13(18)11-12-9-7-5-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYOTYTACMKYKKCM-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.31
Rot. Bonds6

About N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide

N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide (PubChem CID 114457879) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
PubChem CID114457879
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
SMILESCCC(CC)(NC(=O)CC1CCCCCC1)C(N)=S
InChIInChI=1S/C15H28N2OS/c1-3-15(4-2,14(16)19)17-13(18)11-12-9-7-5-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYOTYTACMKYKKCM-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
N-carbamothioyl-2-cyclopentylacetamide
CID 23547678
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
N-(3-carbamothioylpentan-3-yl)-3-(oxolan-2-yl)propanamide
CID 65155302
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide (CID 114457879) is N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide is CCC(CC)(NC(=O)CC1CCCCCC1)C(N)=S.
What is the InChIKey of N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide?
The InChIKey is YOTYTACMKYKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-15(4-2,14(16)19)17-13(18)11-12-9-7-5-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide?
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide has a molecular weight of 284.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 114457879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).