N-butyl-3-(butylamino)-3-sulfanylidenepropanamide

C11H22N2OS — CID 121220053

IUPACN-butyl-3-(butylamino)-3-sulfanylidenepropanamide
SMILESCCCCNC(=O)CC(=S)NCCCC
InChIInChI=1S/C11H22N2OS/c1-3-5-7-12-10(14)9-11(15)13-8-6-4-2/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyRCVWGUUFSIIAGM-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.01
Rot. Bonds8

About N-butyl-3-(butylamino)-3-sulfanylidenepropanamide

N-butyl-3-(butylamino)-3-sulfanylidenepropanamide (PubChem CID 121220053) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-butyl-3-(butylamino)-3-sulfanylidenepropanamide.

Molecular Properties

Compound NameN-butyl-3-(butylamino)-3-sulfanylidenepropanamide
PubChem CID121220053
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-butyl-3-(butylamino)-3-sulfanylidenepropanamide
SMILESCCCCNC(=O)CC(=S)NCCCC
InChIInChI=1S/C11H22N2OS/c1-3-5-7-12-10(14)9-11(15)13-8-6-4-2/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyRCVWGUUFSIIAGM-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-butyl-3-oxobutanamide
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N'-(3-acetamidopropyl)-N-butylpropanediamide
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N-butyl-2-(carbamothioylamino)acetamide
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N-butylheptanethioamide
CID 88529052
N-butyl-2-sulfanylacetamide;propane
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butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
N,N'-didodecylheptanedithioamide
CID 23451988
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(butylamino)-3-sulfanylidenepropanamide?
The IUPAC name of N-butyl-3-(butylamino)-3-sulfanylidenepropanamide (CID 121220053) is N-butyl-3-(butylamino)-3-sulfanylidenepropanamide.
What is the SMILES notation for N-butyl-3-(butylamino)-3-sulfanylidenepropanamide?
The canonical SMILES for N-butyl-3-(butylamino)-3-sulfanylidenepropanamide is CCCCNC(=O)CC(=S)NCCCC.
What is the InChIKey of N-butyl-3-(butylamino)-3-sulfanylidenepropanamide?
The InChIKey is RCVWGUUFSIIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-5-7-12-10(14)9-11(15)13-8-6-4-2/h3-9H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-butyl-3-(butylamino)-3-sulfanylidenepropanamide?
N-butyl-3-(butylamino)-3-sulfanylidenepropanamide has a molecular weight of 230.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(butylamino)-3-sulfanylidenepropanamide is sourced from PubChem (CID 121220053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).