3-[cyclobutylmethyl(methyl)amino]pentanethioamide

C11H22N2S — CID 62861317

IUPAC3-[cyclobutylmethyl(methyl)amino]pentanethioamide
SMILESCCC(CC(N)=S)N(C)CC1CCC1
InChIInChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13(2)8-9-5-4-6-9/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyDWAGNQSBOZCMDM-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.17
Rot. Bonds6

About 3-[cyclobutylmethyl(methyl)amino]pentanethioamide

3-[cyclobutylmethyl(methyl)amino]pentanethioamide (PubChem CID 62861317) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(methyl)amino]pentanethioamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(methyl)amino]pentanethioamide
PubChem CID62861317
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-[cyclobutylmethyl(methyl)amino]pentanethioamide
SMILESCCC(CC(N)=S)N(C)CC1CCC1
InChIInChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13(2)8-9-5-4-6-9/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeyDWAGNQSBOZCMDM-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pentanethioamide
CID 63236538
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
3-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 63067785
3-[2-hydroxyethyl(methyl)amino]pentanethioamide
CID 60960763
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
3-[butyl(methyl)amino]pentanethioamide
CID 43174954
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
3-[methyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 60891383
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(methyl)amino]pentanethioamide?
The IUPAC name of 3-[cyclobutylmethyl(methyl)amino]pentanethioamide (CID 62861317) is 3-[cyclobutylmethyl(methyl)amino]pentanethioamide.
What is the SMILES notation for 3-[cyclobutylmethyl(methyl)amino]pentanethioamide?
The canonical SMILES for 3-[cyclobutylmethyl(methyl)amino]pentanethioamide is CCC(CC(N)=S)N(C)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(methyl)amino]pentanethioamide?
The InChIKey is DWAGNQSBOZCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10(7-11(12)14)13(2)8-9-5-4-6-9/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 3-[cyclobutylmethyl(methyl)amino]pentanethioamide?
3-[cyclobutylmethyl(methyl)amino]pentanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(methyl)amino]pentanethioamide is sourced from PubChem (CID 62861317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).