2-ethyl-1-methylsulfonylhexan-1-amine

C9H21NO2S — CID 58764704

IUPAC2-ethyl-1-methylsulfonylhexan-1-amine
SMILESCCCCC(CC)C(N)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8(5-2)9(10)13(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyCVTIVVRRLTVQIQ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.53
Rot. Bonds6

About 2-ethyl-1-methylsulfonylhexan-1-amine

2-ethyl-1-methylsulfonylhexan-1-amine (PubChem CID 58764704) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-ethyl-1-methylsulfonylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-methylsulfonylhexan-1-amine
PubChem CID58764704
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name2-ethyl-1-methylsulfonylhexan-1-amine
SMILESCCCCC(CC)C(N)S(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-4-6-7-8(5-2)9(10)13(3,11)12/h8-9H,4-7,10H2,1-3H3
InChIKeyCVTIVVRRLTVQIQ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methanesulfonylcyclohexyl)methanamine hydrochloride
CID 132327778
(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
(s)-5-Methyl-1-(methylsulfonyl)hexan-3-amine
CID 129846824
(1-Methanesulfonylcyclohexyl)methanamine
CID 62474898
5-Ethylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
CID 107443649
6-Ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
CID 107443657
3-Fluoro-6-methylsulfonyl-2-propan-2-ylhexan-1-amine
CID 107443676
5-Tert-butylsulfonyl-3-fluoro-2-propan-2-ylpentan-1-amine
CID 107443768
3-Fluoro-5-methylsulfonyl-2-propan-2-ylpentan-1-amine
CID 107443820
3-Fluoro-2-propan-2-yl-5-propylsulfonylpentan-1-amine
CID 107443827
3-Fluoro-2-propan-2-yl-5-propan-2-ylsulfonylpentan-1-amine
CID 107443846
2-Ethyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112565951

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylsulfonylhexan-1-amine?
The IUPAC name of 2-ethyl-1-methylsulfonylhexan-1-amine (CID 58764704) is 2-ethyl-1-methylsulfonylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-methylsulfonylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-methylsulfonylhexan-1-amine is CCCCC(CC)C(N)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-1-methylsulfonylhexan-1-amine?
The InChIKey is CVTIVVRRLTVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-6-7-8(5-2)9(10)13(3,11)12/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-1-methylsulfonylhexan-1-amine?
2-ethyl-1-methylsulfonylhexan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylsulfonylhexan-1-amine is sourced from PubChem (CID 58764704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).