4-[butyl(cyclopropyl)amino]butanethioamide

C11H22N2S — CID 61441835

IUPAC4-[butyl(cyclopropyl)amino]butanethioamide
SMILESCCCCN(CCCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2S/c1-2-3-8-13(10-6-7-10)9-4-5-11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyAGLXSCXCYQKTEF-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.32
Rot. Bonds8

About 4-[butyl(cyclopropyl)amino]butanethioamide

4-[butyl(cyclopropyl)amino]butanethioamide (PubChem CID 61441835) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-[butyl(cyclopropyl)amino]butanethioamide.

Molecular Properties

Compound Name4-[butyl(cyclopropyl)amino]butanethioamide
PubChem CID61441835
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-[butyl(cyclopropyl)amino]butanethioamide
SMILESCCCCN(CCCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2S/c1-2-3-8-13(10-6-7-10)9-4-5-11(12)14/h10H,2-9H2,1H3,(H2,12,14)
InChIKeyAGLXSCXCYQKTEF-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.32
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

3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
CID 65175458
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyldecanamide
CID 65447661
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropylnonanamide
CID 65447660
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyloctanamide
CID 54996806
3-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
pentanethioamide;hydrochloride
CID 140974365
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
CID 62104556

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(cyclopropyl)amino]butanethioamide?
The IUPAC name of 4-[butyl(cyclopropyl)amino]butanethioamide (CID 61441835) is 4-[butyl(cyclopropyl)amino]butanethioamide.
What is the SMILES notation for 4-[butyl(cyclopropyl)amino]butanethioamide?
The canonical SMILES for 4-[butyl(cyclopropyl)amino]butanethioamide is CCCCN(CCCC(N)=S)C1CC1.
What is the InChIKey of 4-[butyl(cyclopropyl)amino]butanethioamide?
The InChIKey is AGLXSCXCYQKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-2-3-8-13(10-6-7-10)9-4-5-11(12)14/h10H,2-9H2,1H3,(H2,12,14).
What are the key properties of 4-[butyl(cyclopropyl)amino]butanethioamide?
4-[butyl(cyclopropyl)amino]butanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(cyclopropyl)amino]butanethioamide is sourced from PubChem (CID 61441835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).