1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine

C9H20N2O2S — CID 79459348

IUPAC1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
SMILESCS(=O)(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(10)7-9/h8-9,11H,2-7,10H2,1H3
InChIKeyRZAQYSYWYDPMDF-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.11
Rot. Bonds4

About 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine

1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine (PubChem CID 79459348) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
PubChem CID79459348
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
SMILESCS(=O)(=O)CCNC1CCCC(N)C1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(10)7-9/h8-9,11H,2-7,10H2,1H3
InChIKeyRZAQYSYWYDPMDF-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
1-N-propylcyclohexane-1,3-diamine
CID 22026573
methyl 3-[(3-aminocyclohexyl)amino]propanoate
CID 79458540
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
CID 79459016
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
CID 106334534
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149
1-N-(3-methoxypropyl)cyclohexane-1,3-diamine
CID 79458917
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine (CID 79459348) is 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine is CS(=O)(=O)CCNC1CCCC(N)C1.
What is the InChIKey of 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine?
The InChIKey is RZAQYSYWYDPMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)6-5-11-9-4-2-3-8(10)7-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine?
1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).