N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide

C12H25N3O2S — CID 54973154

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H25N3O2S/c1-10(2)13-6-9-18(16,17)14-11-5-8-15-7-3-4-12(11)15/h10-14H,3-9H2,1-2H3
InChIKeyFWQAOSSVSAWUBV-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds6

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54973154) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54973154
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C12H25N3O2S/c1-10(2)13-6-9-18(16,17)14-11-5-8-15-7-3-4-12(11)15/h10-14H,3-9H2,1-2H3
InChIKeyFWQAOSSVSAWUBV-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54973154) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide is CC(C)NCCS(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is FWQAOSSVSAWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10(2)13-6-9-18(16,17)14-11-5-8-15-7-3-4-12(11)15/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54973154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).