3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide

C11H20N2S — CID 64521353

IUPAC3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
SMILESCC(CN(CC1CC1)C1CC1)C(N)=S
InChIInChI=1S/C11H20N2S/c1-8(11(12)14)6-13(10-4-5-10)7-9-2-3-9/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyPLWNIFPYAUGTER-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.78
Rot. Bonds6

About 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide

3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide (PubChem CID 64521353) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
PubChem CID64521353
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
SMILESCC(CN(CC1CC1)C1CC1)C(N)=S
InChIInChI=1S/C11H20N2S/c1-8(11(12)14)6-13(10-4-5-10)7-9-2-3-9/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyPLWNIFPYAUGTER-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.78
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

ethyl 3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoate
CID 64522428
N-(3-chloro-2-methylpropyl)-N-(cyclopropylmethyl)cyclopropanamine
CID 64522017
1-N-cyclopropyl-1-N-(cyclopropylmethyl)-2-methylheptane-1,6-diamine
CID 65296045
3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521842
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
CID 63863779
N-cyclopropyl-N-(cyclopropylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 64520179
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
1-[cyclopropyl(cyclopropylmethyl)amino]propan-2-one
CID 64522765
2-[(4-ethylcyclohexyl)-propan-2-ylamino]ethanethioamide
CID 64749287
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide (CID 64521353) is 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide is CC(CN(CC1CC1)C1CC1)C(N)=S.
What is the InChIKey of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide?
The InChIKey is PLWNIFPYAUGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(11(12)14)6-13(10-4-5-10)7-9-2-3-9/h8-10H,2-7H2,1H3,(H2,12,14).
What are the key properties of 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide?
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide has a molecular weight of 212.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 64521353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).