4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one

C10H21NOS — CID 159039926

IUPAC4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
SMILESCC(C)C(=O)C(CS)N(C)C(C)C
InChIInChI=1S/C10H21NOS/c1-7(2)10(12)9(6-13)11(5)8(3)4/h7-9,13H,6H2,1-5H3
InChIKeyUVBVLVLTTABYRC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.85
Rot. Bonds5

About 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one

4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one (PubChem CID 159039926) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one.

Molecular Properties

Compound Name4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
PubChem CID159039926
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
SMILESCC(C)C(=O)C(CS)N(C)C(C)C
InChIInChI=1S/C10H21NOS/c1-7(2)10(12)9(6-13)11(5)8(3)4/h7-9,13H,6H2,1-5H3
InChIKeyUVBVLVLTTABYRC-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
CID 142312134
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
CID 146233687
(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide
CID 164979150
2,5-dimethyl-4-(propan-2-ylamino)-6-sulfanylhexan-3-one
CID 134511435
(2R)-2-(diethylamino)-1-hydroxy-4-methylpentan-3-one
CID 122592103
2,6-dimethyl-4-(1-sulfanylpropan-2-yl)heptan-3-one
CID 162170254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one?
The IUPAC name of 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one (CID 159039926) is 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one.
What is the SMILES notation for 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one?
The canonical SMILES for 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one is CC(C)C(=O)C(CS)N(C)C(C)C.
What is the InChIKey of 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one?
The InChIKey is UVBVLVLTTABYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-7(2)10(12)9(6-13)11(5)8(3)4/h7-9,13H,6H2,1-5H3.
What are the key properties of 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one?
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one has a molecular weight of 203.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one is sourced from PubChem (CID 159039926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).