(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride

C9H22ClN3O2S — CID 120716789

IUPAC(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
SMILESCCN(CC)S(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-3-12(4-2)15(13,14)11-9-6-5-7-10-8-9;/h9-11H,3-8H2,1-2H3;1H/t9-;/m0./s1
InChIKeyXZQAGWZRAPOXPP-FVGYRXGTSA-N
MW271.81 g/mol
LogP0.34
Rot. Bonds5

About (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride

(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride (PubChem CID 120716789) has the molecular formula C9H22ClN3O2S and a molecular weight of 271.81 g/mol. Its IUPAC name is (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
PubChem CID120716789
Molecular FormulaC9H22ClN3O2S
Molecular Weight271.81 g/mol
Exact Mass271.11
IUPAC Name(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
SMILESCCN(CC)S(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-3-12(4-2)15(13,14)11-9-6-5-7-10-8-9;/h9-11H,3-8H2,1-2H3;1H/t9-;/m0./s1
InChIKeyXZQAGWZRAPOXPP-FVGYRXGTSA-N
XLogP0.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
(diethylsulfamoylamino)cyclopentane
CID 60713674
1,4-bis(diethylsulfamoylamino)cyclohexane
CID 31065973
3-[[benzyl(ethyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119967112
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
3-[bis(2-methoxyethyl)sulfamoylamino]pyrrolidine;hydrochloride
CID 119967262
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
N-ethylpiperidin-3-amine
CID 21278340
1-(diethylsulfamoylamino)-4-(ethylamino)cyclohexane
CID 43653561
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride?
The IUPAC name of (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride (CID 120716789) is (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride.
What is the SMILES notation for (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride?
The canonical SMILES for (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride is CCN(CC)S(=O)(=O)N[C@H]1CCCNC1.Cl.
What is the InChIKey of (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride?
The InChIKey is XZQAGWZRAPOXPP-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H21N3O2S.ClH/c1-3-12(4-2)15(13,14)11-9-6-5-7-10-8-9;/h9-11H,3-8H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride?
(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride has a molecular weight of 271.81 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride is sourced from PubChem (CID 120716789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).