N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C12H23N3O2S — CID 54973155

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O2S/c16-18(17,9-10-3-1-6-13-10)14-11-5-8-15-7-2-4-12(11)15/h10-14H,1-9H2
InChIKeyAQHZLRMNASAYSP-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.11
Rot. Bonds4

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54973155) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54973155
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NC1CCN2CCCC12
InChIInChI=1S/C12H23N3O2S/c16-18(17,9-10-3-1-6-13-10)14-11-5-8-15-7-2-4-12(11)15/h10-14H,1-9H2
InChIKeyAQHZLRMNASAYSP-UHFFFAOYSA-N
XLogP-0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752465
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide
CID 54967691
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973154
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-4-sulfonamide
CID 54973205
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 54973206
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide
CID 60768309
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide
CID 60959425
N-(1,1-dioxothiolan-3-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 61515166
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 61515420
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide
CID 61515603
N-(2-ethylsulfonylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 61515700
N-(2-methylsulfonylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 61515736

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54973155) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is AQHZLRMNASAYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c16-18(17,9-10-3-1-6-13-10)14-11-5-8-15-7-2-4-12(11)15/h10-14H,1-9H2.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 273.40 g/mol, XLogP of -0.11, 4 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)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).