3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide

C10H21N3O2S — CID 62982190

IUPAC3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1CCN(C2CC2)C1
InChIInChI=1S/C10H21N3O2S/c11-16(14,15)7-1-5-12-9-4-6-13(8-9)10-2-3-10/h9-10,12H,1-8H2,(H2,11,14,15)
InChIKeyFMGIVAWADNJCNJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.51
Rot. Bonds6

About 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide

3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide (PubChem CID 62982190) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
PubChem CID62982190
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNC1CCN(C2CC2)C1
InChIInChI=1S/C10H21N3O2S/c11-16(14,15)7-1-5-12-9-4-6-13(8-9)10-2-3-10/h9-10,12H,1-8H2,(H2,11,14,15)
InChIKeyFMGIVAWADNJCNJ-UHFFFAOYSA-N
XLogP-0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
CID 62835220
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
3-[(3,5-dimethylcyclohexyl)amino]propane-1-sulfonamide
CID 64750648
N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260589
N-[(1-aminocyclopropyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 65459112
3-(oxepan-4-ylamino)propane-1-sulfonamide
CID 65082122
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
CID 62982169
N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
2-[(1-tert-butylpiperidin-4-yl)amino]ethanesulfonamide
CID 114384873

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide (CID 62982190) is 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNC1CCN(C2CC2)C1.
What is the InChIKey of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide?
The InChIKey is FMGIVAWADNJCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-16(14,15)7-1-5-12-9-4-6-13(8-9)10-2-3-10/h9-10,12H,1-8H2,(H2,11,14,15).
What are the key properties of 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide?
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 62982190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).