5-methyl-1-methylsulfonylheptan-3-amine

C9H21NO2S — CID 115848498

IUPAC5-methyl-1-methylsulfonylheptan-3-amine
SMILESCCC(C)CC(N)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-8(2)7-9(10)5-6-13(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeySRAWABPXAGUSJR-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.18
Rot. Bonds6

About 5-methyl-1-methylsulfonylheptan-3-amine

5-methyl-1-methylsulfonylheptan-3-amine (PubChem CID 115848498) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 5-methyl-1-methylsulfonylheptan-3-amine.

Molecular Properties

Compound Name5-methyl-1-methylsulfonylheptan-3-amine
PubChem CID115848498
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name5-methyl-1-methylsulfonylheptan-3-amine
SMILESCCC(C)CC(N)CCS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-8(2)7-9(10)5-6-13(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeySRAWABPXAGUSJR-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
CID 115848324
1-methylsulfonylnonan-3-amine
CID 115848427
1-methylsulfonyldodecan-3-amine
CID 115848423
6-methyl-1-methylsulfonyloctan-4-ol
CID 115780121
(5S)-3,11-dimethyldodecan-5-amine
CID 174258758
1-ethylsulfanyl-4-methylsulfonylbutan-2-amine
CID 65127514
1-N,1-N-dimethyl-4-methylsulfonylbutane-1,2-diamine
CID 79093869
5-methyl-N-(2-methylsulfonylethyl)heptan-3-amine
CID 60920928
3-methyl-1-methylsulfonylbutane
CID 20712453
6-ethoxy-1-methylsulfonylhexan-3-amine
CID 114984300
2-amino-4-methylhexan-1-ol;hydrochloride
CID 55253854
(3S)-3-amino-5-methylhexane-1-sulfonic acid
CID 58052699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfonylheptan-3-amine?
The IUPAC name of 5-methyl-1-methylsulfonylheptan-3-amine (CID 115848498) is 5-methyl-1-methylsulfonylheptan-3-amine.
What is the SMILES notation for 5-methyl-1-methylsulfonylheptan-3-amine?
The canonical SMILES for 5-methyl-1-methylsulfonylheptan-3-amine is CCC(C)CC(N)CCS(C)(=O)=O.
What is the InChIKey of 5-methyl-1-methylsulfonylheptan-3-amine?
The InChIKey is SRAWABPXAGUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-8(2)7-9(10)5-6-13(3,11)12/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 5-methyl-1-methylsulfonylheptan-3-amine?
5-methyl-1-methylsulfonylheptan-3-amine has a molecular weight of 207.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfonylheptan-3-amine is sourced from PubChem (CID 115848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).