3-(sulfamoylamino)azepane

C6H15N3O2S — CID 114959363

IUPAC3-(sulfamoylamino)azepane
SMILESNS(=O)(=O)NC1CCCCNC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)9-6-3-1-2-4-8-5-6/h6,8-9H,1-5H2,(H2,7,10,11)
InChIKeyKYTWMQPXTYVQIG-UHFFFAOYSA-N
MW193.27 g/mol
LogP-1.08
Rot. Bonds2

About 3-(sulfamoylamino)azepane

3-(sulfamoylamino)azepane (PubChem CID 114959363) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(sulfamoylamino)azepane.

Molecular Properties

Compound Name3-(sulfamoylamino)azepane
PubChem CID114959363
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC Name3-(sulfamoylamino)azepane
SMILESNS(=O)(=O)NC1CCCCNC1
InChIInChI=1S/C6H15N3O2S/c7-12(10,11)9-6-3-1-2-4-8-5-6/h6,8-9H,1-5H2,(H2,7,10,11)
InChIKeyKYTWMQPXTYVQIG-UHFFFAOYSA-N
XLogP-1.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
N-cyclopentylazepan-3-amine
CID 82934004
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
N-cycloheptylazepan-3-amine
CID 82934093
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
N-[(3S)-piperidin-3-yl]piperidine-1-sulfonamide;hydrochloride
CID 120716711
(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
CID 120716789
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723758
(sulfamoylamino)cyclopropane
CID 21041394
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774

Frequently Asked Questions

What is the IUPAC name of 3-(sulfamoylamino)azepane?
The IUPAC name of 3-(sulfamoylamino)azepane (CID 114959363) is 3-(sulfamoylamino)azepane.
What is the SMILES notation for 3-(sulfamoylamino)azepane?
The canonical SMILES for 3-(sulfamoylamino)azepane is NS(=O)(=O)NC1CCCCNC1.
What is the InChIKey of 3-(sulfamoylamino)azepane?
The InChIKey is KYTWMQPXTYVQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c7-12(10,11)9-6-3-1-2-4-8-5-6/h6,8-9H,1-5H2,(H2,7,10,11).
What are the key properties of 3-(sulfamoylamino)azepane?
3-(sulfamoylamino)azepane has a molecular weight of 193.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfamoylamino)azepane is sourced from PubChem (CID 114959363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).