5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide

C11H22N2S — CID 63866396

IUPAC5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide
SMILESCC1CC1CN(C)CCCCC(N)=S
InChIInChI=1S/C11H22N2S/c1-9-7-10(9)8-13(2)6-4-3-5-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeySZAQENMPSIXZNT-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.03
Rot. Bonds7

About 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide

5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide (PubChem CID 63866396) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide.

Molecular Properties

Compound Name5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide
PubChem CID63866396
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide
SMILESCC1CC1CN(C)CCCCC(N)=S
InChIInChI=1S/C11H22N2S/c1-9-7-10(9)8-13(2)6-4-3-5-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14)
InChIKeySZAQENMPSIXZNT-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide?
The IUPAC name of 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide (CID 63866396) is 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide.
What is the SMILES notation for 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide?
The canonical SMILES for 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide is CC1CC1CN(C)CCCCC(N)=S.
What is the InChIKey of 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide?
The InChIKey is SZAQENMPSIXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-7-10(9)8-13(2)6-4-3-5-11(12)14/h9-10H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide?
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide has a molecular weight of 214.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanethioamide is sourced from PubChem (CID 63866396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).