N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide

C16H30N2OS — CID 114457887

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCC(N)=S)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H30N2OS/c1-13(2)12-18(10-9-15(17)20)16(19)11-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,17,20)
InChIKeyLYWKADLGWYSCLG-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.51
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide (PubChem CID 114457887) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
PubChem CID114457887
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCC(N)=S)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H30N2OS/c1-13(2)12-18(10-9-15(17)20)16(19)11-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,17,20)
InChIKeyLYWKADLGWYSCLG-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
CID 103556661
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N-(3-amino-3-sulfanylidenepropyl)-N-cyclohexyl-3-methylbutanamide
CID 82103905
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
CID 83137721
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
CID 82104164

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide (CID 114457887) is N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide is CC(C)CN(CCC(N)=S)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide?
The InChIKey is LYWKADLGWYSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-13(2)12-18(10-9-15(17)20)16(19)11-14-7-5-3-4-6-8-14/h13-14H,3-12H2,1-2H3,(H2,17,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide has a molecular weight of 298.50 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 114457887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).