N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H27N3O2S — CID 79611466

IUPACN-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCS(=O)(=O)N1CCCC(CNC2CCN3CCCC23)C1
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)17-8-2-4-12(11-17)10-15-13-6-9-16-7-3-5-14(13)16/h12-15H,2-11H2,1H3
InChIKeySUZQVNSSHCINCI-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.48
Rot. Bonds4

About N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 79611466) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID79611466
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCS(=O)(=O)N1CCCC(CNC2CCN3CCCC23)C1
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)17-8-2-4-12(11-17)10-15-13-6-9-16-7-3-5-14(13)16/h12-15H,2-11H2,1H3
InChIKeySUZQVNSSHCINCI-UHFFFAOYSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine
CID 83033412
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 81038476

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 79611466) is N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CS(=O)(=O)N1CCCC(CNC2CCN3CCCC23)C1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is SUZQVNSSHCINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-20(18,19)17-8-2-4-12(11-17)10-15-13-6-9-16-7-3-5-14(13)16/h12-15H,2-11H2,1H3.
What are the key properties of N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 301.46 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 79611466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).