5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride

C8H18ClNO2S — CID 53395510

IUPAC5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
SMILESCC(C)CC(N)C=CS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H
InChIKeyPVEBAYMGCSDWGH-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.34
Rot. Bonds4

About 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride

5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride (PubChem CID 53395510) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
PubChem CID53395510
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC Name5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
SMILESCC(C)CC(N)C=CS(C)(=O)=O.Cl
InChIInChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H
InChIKeyPVEBAYMGCSDWGH-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,2S)-4-methylsulfonylbut-3-en-2-amine
CID 170718426
(E,3S)-3-isocyanato-5-methyl-1-methylsulfonylhex-1-ene
CID 56849755
N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide
CID 157320567
4-methylpentane-2-sulfonamide
CID 54354651
(E,3S)-3-amino-5-methylsulfonylpent-4-enoic acid;4-methylbenzenesulfonate
CID 169431815
N-tert-butyl-N-[(3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]carbamate
CID 57373653
4-methylsulfonylpentan-2-amine
CID 64703768
(E)-1,2-bis(methylsulfonyl)ethene
CID 13198777
(E,3S)-1-(4-chlorophenyl)-5-methylhex-1-en-3-amine;hydrochloride
CID 70285128
(E)-5-methyl-1-pyridin-4-ylhex-1-en-3-amine;dihydrochloride
CID 18784939
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 56851329
4-methylpentane-2-sulfonyl chloride
CID 54347504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The IUPAC name of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride (CID 53395510) is 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride is CC(C)CC(N)C=CS(C)(=O)=O.Cl.
What is the InChIKey of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
The InChIKey is PVEBAYMGCSDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S.ClH/c1-7(2)6-8(9)4-5-12(3,10)11;/h4-5,7-8H,6,9H2,1-3H3;1H.
What are the key properties of 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride?
5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride has a molecular weight of 227.76 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride is sourced from PubChem (CID 53395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).