(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane

C8H19NOS — CID 160564575

IUPAC(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
SMILESCN[C@@H](C)C(=O)C(C)(C)C.S
InChIInChI=1S/C8H17NO.H2S/c1-6(9-5)7(10)8(2,3)4;/h6,9H,1-5H3;1H2/t6-;/m0./s1
InChIKeyQZTDXRRMAIFOKG-RGMNGODLSA-N
MW177.31 g/mol
LogP1.32
Rot. Bonds2

About (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane

(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane (PubChem CID 160564575) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
PubChem CID160564575
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
SMILESCN[C@@H](C)C(=O)C(C)(C)C.S
InChIInChI=1S/C8H17NO.H2S/c1-6(9-5)7(10)8(2,3)4;/h6,9H,1-5H3;1H2/t6-;/m0./s1
InChIKeyQZTDXRRMAIFOKG-RGMNGODLSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
tert-butyl (4S)-2-hydroxy-2-methyl-4-(methylamino)-3-oxopentanoate
CID 87472628
4,4-diethyl-2,2,6-tris(methylamino)heptane-3,5-dione
CID 174360106
tert-butyl N-(4,4-dimethyl-3-oxopentan-2-yl)carbamate
CID 72641150
1-(4,4-dimethyl-3-oxopentan-2-yl)-3-[2-(methylamino)ethyl]urea
CID 129026706
(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
CID 94523779
(2S)-2-(tert-butylamino)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]-3-methylbutanamide
CID 166671320
2-(methylamino)propanamide;hydrochloride
CID 71433439
N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 65106945
(4S)-2,2,5,5-tetramethyl-4-(propan-2-ylamino)hexan-3-one
CID 59750018

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane?
The IUPAC name of (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane (CID 160564575) is (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane?
The canonical SMILES for (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane is CN[C@@H](C)C(=O)C(C)(C)C.S.
What is the InChIKey of (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane?
The InChIKey is QZTDXRRMAIFOKG-RGMNGODLSA-N. The full InChI is InChI=1S/C8H17NO.H2S/c1-6(9-5)7(10)8(2,3)4;/h6,9H,1-5H3;1H2/t6-;/m0./s1.
What are the key properties of (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane?
(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane has a molecular weight of 177.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane is sourced from PubChem (CID 160564575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).