4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

C10H20N2O3S — CID 114809776

IUPAC4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C10H20N2O3S/c1-2-5-11-16(14,15)12-6-8-3-4-10(13)9(8)7-12/h8-11,13H,2-7H2,1H3
InChIKeyQMQMJFVMKADHGP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.07
Rot. Bonds4

About 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide

4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (PubChem CID 114809776) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
PubChem CID114809776
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C10H20N2O3S/c1-2-5-11-16(14,15)12-6-8-3-4-10(13)9(8)7-12/h8-11,13H,2-7H2,1H3
InChIKeyQMQMJFVMKADHGP-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-sulfonamide
CID 114811337
3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
CID 114809965
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
3-piperazin-1-yl-N-propylazetidine-1-sulfonamide
CID 114811018
3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
CID 114812862
2-[[3-(ethylamino)-2-pyridinyl]sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103307057
1-[1-(propylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806600
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one
CID 114875457
3-(hydroxymethyl)-N-propylmorpholine-4-sulfonamide
CID 114809867
3-(4-chlorobenzoyl)-N-propylpiperidine-1-sulfonamide
CID 110628411

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The IUPAC name of 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide (CID 114809776) is 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The canonical SMILES for 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is CCCNS(=O)(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
The InChIKey is QMQMJFVMKADHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-5-11-16(14,15)12-6-8-3-4-10(13)9(8)7-12/h8-11,13H,2-7H2,1H3.
What are the key properties of 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide?
4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide is sourced from PubChem (CID 114809776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).