3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide

C9H21N3O2S — CID 114812862

IUPAC3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C9H21N3O2S/c1-4-5-11-15(13,14)12-6-9(10,7-12)8(2)3/h8,11H,4-7,10H2,1-3H3
InChIKeyHVMYJNALVWMDCT-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds5

About 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide

3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide (PubChem CID 114812862) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
PubChem CID114812862
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C9H21N3O2S/c1-4-5-11-15(13,14)12-6-9(10,7-12)8(2)3/h8,11H,4-7,10H2,1-3H3
InChIKeyHVMYJNALVWMDCT-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
4-amino-N-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-sulfonamide
CID 114811337
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
CID 114809776
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
2-[4-(propylsulfamoyl)piperazin-1-yl]ethanimidamide
CID 114813390
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide?
The IUPAC name of 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide (CID 114812862) is 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide.
What is the SMILES notation for 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide?
The canonical SMILES for 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide is CCCNS(=O)(=O)N1CC(N)(C(C)C)C1.
What is the InChIKey of 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide?
The InChIKey is HVMYJNALVWMDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-4-5-11-15(13,14)12-6-9(10,7-12)8(2)3/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide?
3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide is sourced from PubChem (CID 114812862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).