2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide

C10H22N2S — CID 43269579

IUPAC2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide
SMILESCCCN(CC(C)C(N)=S)C(C)C
InChIInChI=1S/C10H22N2S/c1-5-6-12(8(2)3)7-9(4)10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13)
InChIKeyYLGARVUTLSKPRE-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.03
Rot. Bonds6

About 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide

2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide (PubChem CID 43269579) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide
PubChem CID43269579
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide
SMILESCCCN(CC(C)C(N)=S)C(C)C
InChIInChI=1S/C10H22N2S/c1-5-6-12(8(2)3)7-9(4)10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13)
InChIKeyYLGARVUTLSKPRE-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.03
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

2-Methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanethioamide
CID 61604431
3-[Ethyl(2-fluoroethyl)amino]-2-methylpropanethioamide
CID 80694226
3-[2-Fluoroethyl(propan-2-yl)amino]propanethioamide
CID 80694392
3-[2-Fluoroethyl(2-methylpropyl)amino]propanethioamide
CID 80694550
3-[3-Fluoropropyl(propan-2-yl)amino]propanethioamide
CID 81105263
3-[3-Fluoropropyl(2-methylpropyl)amino]propanethioamide
CID 81105433
3-[Ethyl(3-fluoropropyl)amino]-2-methylpropanethioamide
CID 81105923
3-[3-Fluoropropyl(methyl)amino]butanethioamide
CID 81105925
3-[3-Fluoropropyl(methyl)amino]-2-methylpropanethioamide
CID 81106092
3,3,3-Trifluoro-2-[[methyl(propan-2-yl)amino]methyl]propanethioamide
CID 103368494
2-[[Ethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanethioamide
CID 103368520
3,3,3-Trifluoro-2-[[propan-2-yl(propyl)amino]methyl]propanethioamide
CID 103368524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide?
The IUPAC name of 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide (CID 43269579) is 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide is CCCN(CC(C)C(N)=S)C(C)C.
What is the InChIKey of 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide?
The InChIKey is YLGARVUTLSKPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-5-6-12(8(2)3)7-9(4)10(11)13/h8-9H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide?
2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[propan-2-yl(propyl)amino]propanethioamide is sourced from PubChem (CID 43269579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).