N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide

C11H22N2OS — CID 61120703

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
SMILESCCCC(NC(=O)CCC(C)C)C(N)=S
InChIInChI=1S/C11H22N2OS/c1-4-5-9(11(12)15)13-10(14)7-6-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyJVNAVEQDNSQVOF-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.99
Rot. Bonds7

About N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide (PubChem CID 61120703) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
PubChem CID61120703
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
SMILESCCCC(NC(=O)CCC(C)C)C(N)=S
InChIInChI=1S/C11H22N2OS/c1-4-5-9(11(12)15)13-10(14)7-6-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14)
InChIKeyJVNAVEQDNSQVOF-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.99
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

N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
CID 79160138
N'-pentan-2-ylpropanediamide
CID 88934201
N-(1-amino-1-sulfanylidenebutan-2-yl)propanamide
CID 61119498
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
N-(1-amino-1-sulfanylidenepentan-2-yl)-3,5-dimethoxybenzamide
CID 61120314

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide (CID 61120703) is N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide is CCCC(NC(=O)CCC(C)C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide?
The InChIKey is JVNAVEQDNSQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-5-9(11(12)15)13-10(14)7-6-8(2)3/h8-9H,4-7H2,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 61120703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).