N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide

C12H24N2OS — CID 82104231

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
SMILESCCCC(=O)N(CCC(N)=S)CCC(C)C
InChIInChI=1S/C12H24N2OS/c1-4-5-12(15)14(8-6-10(2)3)9-7-11(13)16/h10H,4-9H2,1-3H3,(H2,13,16)
InChIKeyHDQGKIIWGLAIGJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.34
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide

N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide (PubChem CID 82104231) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
PubChem CID82104231
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
SMILESCCCC(=O)N(CCC(N)=S)CCC(C)C
InChIInChI=1S/C12H24N2OS/c1-4-5-12(15)14(8-6-10(2)3)9-7-11(13)16/h10H,4-9H2,1-3H3,(H2,13,16)
InChIKeyHDQGKIIWGLAIGJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.34
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

N-(3-amino-3-sulfanylidenepropyl)-2-ethyl-N-(3-methylbutyl)butanamide
CID 82104235
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)butanamide
CID 82104258
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)pyridine-4-carboxamide
CID 82104252
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
1-hexyl-1-(3-methylbutyl)urea
CID 173062711
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide (CID 82104231) is N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide is CCCC(=O)N(CCC(N)=S)CCC(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide?
The InChIKey is HDQGKIIWGLAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-5-12(15)14(8-6-10(2)3)9-7-11(13)16/h10H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide has a molecular weight of 244.40 g/mol, XLogP of 2.34, 8 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)-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 82104231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).