N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide

C10H20N2O3S — CID 105360659

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)C1CCCC1
InChIInChI=1S/C10H20N2O3S/c13-10(5-6-11-7-10)8-12-16(14,15)9-3-1-2-4-9/h9,11-13H,1-8H2
InChIKeyDKPGRCCSVLOOIA-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.43
Rot. Bonds4

About N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide (PubChem CID 105360659) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide
PubChem CID105360659
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)C1CCCC1
InChIInChI=1S/C10H20N2O3S/c13-10(5-6-11-7-10)8-12-16(14,15)9-3-1-2-4-9/h9,11-13H,1-8H2
InChIKeyDKPGRCCSVLOOIA-UHFFFAOYSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbutane-1-sulfonamide
CID 114759965
4,4,4-trifluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 114760060
N-(2-hydroxy-2-methylpropyl)-N-methylpyrrolidine-3-sulfonamide
CID 79386128
N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrrolidine-3-sulfonamide
CID 79386205
1-(1-Aminobutan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355757
1-(1-Aminopropan-2-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355765
1-(2-Aminoethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355767
1-(4-Aminobutylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355768
1-(3-Aminopropylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103355772
3-Methyl-1-piperidin-3-ylsulfonylpyrrolidin-3-ol
CID 103356701
3-Methyl-1-(pyrrolidin-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 103356704
1-[2-(Ethylamino)ethylsulfonyl]-3-methylpyrrolidin-3-ol
CID 103356705

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide (CID 105360659) is N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide is O=S(=O)(NCC1(O)CCNC1)C1CCCC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide?
The InChIKey is DKPGRCCSVLOOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-10(5-6-11-7-10)8-12-16(14,15)9-3-1-2-4-9/h9,11-13H,1-8H2.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide is sourced from PubChem (CID 105360659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).