N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide

C13H26N2OS — CID 82984485

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-5-8-10(9-6-2)11(16)15-13(4,7-3)12(14)17/h10H,5-9H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyYPNBAHGBCZDNNI-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.77
Rot. Bonds8

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide (PubChem CID 82984485) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
PubChem CID82984485
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C)(CC)C(N)=S
InChIInChI=1S/C13H26N2OS/c1-5-8-10(9-6-2)11(16)15-13(4,7-3)12(14)17/h10H,5-9H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyYPNBAHGBCZDNNI-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.77
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-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475556
2-(carbamothioylamino)-2-methylbutanoic acid
CID 88920179
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,5,5-trimethylhexanamide
CID 61120416
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020321
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188010
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82985436
2-propylhexanehydrazide
CID 86746660
2-(butylsulfonylamino)-2-methylbutanethioamide
CID 61124679

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide (CID 82984485) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(C)(CC)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide?
The InChIKey is YPNBAHGBCZDNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-8-10(9-6-2)11(16)15-13(4,7-3)12(14)17/h10H,5-9H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide has a molecular weight of 258.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 82984485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).