(3S)-5-methyl-1-methylsulfinylhexan-3-amine

C8H19NOS — CID 178163318

IUPAC(3S)-5-methyl-1-methylsulfinylhexan-3-amine
SMILESCC(C)C[C@H](N)CCS(C)=O
InChIInChI=1S/C8H19NOS/c1-7(2)6-8(9)4-5-11(3)10/h7-8H,4-6,9H2,1-3H3/t8-,11?/m1/s1
InChIKeyLRJVHRRJQOUJEQ-RZZZFEHKSA-N
MW177.31 g/mol
LogP1.13
Rot. Bonds5

About (3S)-5-methyl-1-methylsulfinylhexan-3-amine

(3S)-5-methyl-1-methylsulfinylhexan-3-amine (PubChem CID 178163318) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is (3S)-5-methyl-1-methylsulfinylhexan-3-amine.

Molecular Properties

Compound Name(3S)-5-methyl-1-methylsulfinylhexan-3-amine
PubChem CID178163318
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name(3S)-5-methyl-1-methylsulfinylhexan-3-amine
SMILESCC(C)C[C@H](N)CCS(C)=O
InChIInChI=1S/C8H19NOS/c1-7(2)6-8(9)4-5-11(3)10/h7-8H,4-6,9H2,1-3H3/t8-,11?/m1/s1
InChIKeyLRJVHRRJQOUJEQ-RZZZFEHKSA-N
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-5-methylsulfinylpentan-1-ol
CID 163568713
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
(4R)-2-methyldecan-4-amine
CID 14572815
[(3R)-3-amino-5-methylhexyl]-methylphosphinic acid
CID 178163308
(5S)-5-amino-7-methyloctanoic acid
CID 178163139
(4R)-2-methylnonan-4-amine;hydrochloride
CID 14572809
2-amino-N-methyl-4-methylsulfinylbutanamide
CID 58684641
5-methyl-1-(2-methylpropoxy)hexan-3-amine
CID 106459216
2,15,18-trimethylnonadecane-4,13-diamine
CID 56622666
(2R)-1-methylsulfinylpropan-2-amine
CID 88956942
(2S)-1-[(R)-methylsulfinyl]propan-2-amine
CID 96718307

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-1-methylsulfinylhexan-3-amine?
The IUPAC name of (3S)-5-methyl-1-methylsulfinylhexan-3-amine (CID 178163318) is (3S)-5-methyl-1-methylsulfinylhexan-3-amine.
What is the SMILES notation for (3S)-5-methyl-1-methylsulfinylhexan-3-amine?
The canonical SMILES for (3S)-5-methyl-1-methylsulfinylhexan-3-amine is CC(C)C[C@H](N)CCS(C)=O.
What is the InChIKey of (3S)-5-methyl-1-methylsulfinylhexan-3-amine?
The InChIKey is LRJVHRRJQOUJEQ-RZZZFEHKSA-N. The full InChI is InChI=1S/C8H19NOS/c1-7(2)6-8(9)4-5-11(3)10/h7-8H,4-6,9H2,1-3H3/t8-,11?/m1/s1.
What are the key properties of (3S)-5-methyl-1-methylsulfinylhexan-3-amine?
(3S)-5-methyl-1-methylsulfinylhexan-3-amine has a molecular weight of 177.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-1-methylsulfinylhexan-3-amine is sourced from PubChem (CID 178163318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).