3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride

C9H22ClN3O2S — CID 120585460

IUPAC3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCCCN(C)S(=O)(=O)N1CC(C)C(N)C1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-4-5-11(3)15(13,14)12-6-8(2)9(10)7-12;/h8-9H,4-7,10H2,1-3H3;1H
InChIKeySITOGSOQRQBKQP-UHFFFAOYSA-N
MW271.81 g/mol
LogP0.27
Rot. Bonds4

About 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride

3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride (PubChem CID 120585460) has the molecular formula C9H22ClN3O2S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
PubChem CID120585460
Molecular FormulaC9H22ClN3O2S
Molecular Weight271.81 g/mol
Exact Mass271.11
IUPAC Name3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
SMILESCCCN(C)S(=O)(=O)N1CC(C)C(N)C1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-4-5-11(3)15(13,14)12-6-8(2)9(10)7-12;/h8-9H,4-7,10H2,1-3H3;1H
InChIKeySITOGSOQRQBKQP-UHFFFAOYSA-N
XLogP0.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
CID 119958974
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
1-(2-ethoxyethylsulfonyl)-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585422
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
3-(dimethylamino)-N,4-dimethyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 81463759
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
CID 119989155
N-(2-aminoethyl)-N,2,6-trimethylmorpholine-4-sulfonamide
CID 62688438

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The IUPAC name of 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride (CID 120585460) is 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The canonical SMILES for 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride is CCCN(C)S(=O)(=O)N1CC(C)C(N)C1.Cl.
What is the InChIKey of 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
The InChIKey is SITOGSOQRQBKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S.ClH/c1-4-5-11(3)15(13,14)12-6-8(2)9(10)7-12;/h8-9H,4-7,10H2,1-3H3;1H.
What are the key properties of 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride?
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride has a molecular weight of 271.81 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120585460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).