3-[cyclopropyl(2-methylbutyl)amino]propanethioamide

C11H22N2S — CID 62104556

IUPAC3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
SMILESCCC(C)CN(CCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2S/c1-3-9(2)8-13(10-4-5-10)7-6-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyWEXBDNLIXWOPLD-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds7

About 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide

3-[cyclopropyl(2-methylbutyl)amino]propanethioamide (PubChem CID 62104556) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
PubChem CID62104556
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-[cyclopropyl(2-methylbutyl)amino]propanethioamide
SMILESCCC(C)CN(CCC(N)=S)C1CC1
InChIInChI=1S/C11H22N2S/c1-3-9(2)8-13(10-4-5-10)7-6-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyWEXBDNLIXWOPLD-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.17
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-[ethyl-(4-ethylcyclohexyl)amino]propanethioamide
CID 64750245
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
3-[cyclopropyl(3-ethoxypropyl)amino]propanethioamide
CID 65175458
4-[butyl(cyclopropyl)amino]butanethioamide
CID 61441835
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
3-[2-methylpropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905947
3-[ethyl(oxan-3-yl)amino]propanethioamide
CID 107134685
3-[cyclopentyl(2-methylpropyl)amino]propanamide
CID 78983793
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
3-[cyclopropyl(oxan-4-ylmethyl)amino]propanethioamide
CID 62387321
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanethioamide
CID 64772003
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]butanoate
CID 64663364

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide?
The IUPAC name of 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide (CID 62104556) is 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide.
What is the SMILES notation for 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide?
The canonical SMILES for 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide is CCC(C)CN(CCC(N)=S)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide?
The InChIKey is WEXBDNLIXWOPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-9(2)8-13(10-4-5-10)7-6-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide?
3-[cyclopropyl(2-methylbutyl)amino]propanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylbutyl)amino]propanethioamide is sourced from PubChem (CID 62104556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).