N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide

C8H18N2O4S2 — CID 82842865

IUPACN-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCCCNC1
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)7-16(13,14)10-8-4-2-3-5-9-6-8/h8-10H,2-7H2,1H3
InChIKeyWOTKDEGRSNAWKO-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.95
Rot. Bonds4

About N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide

N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82842865) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
PubChem CID82842865
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1CCCCNC1
InChIInChI=1S/C8H18N2O4S2/c1-15(11,12)7-16(13,14)10-8-4-2-3-5-9-6-8/h8-10H,2-7H2,1H3
InChIKeyWOTKDEGRSNAWKO-UHFFFAOYSA-N
XLogP-0.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
3-(sulfamoylamino)azepane
CID 114959363
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide (CID 82842865) is N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NC1CCCCNC1.
What is the InChIKey of N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is WOTKDEGRSNAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-15(11,12)7-16(13,14)10-8-4-2-3-5-9-6-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide?
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82842865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).