1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine

C13H27N3O2S — CID 61493973

IUPAC1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-5-13(6-12-16)14-7-4-10-15-8-2-3-9-15/h13-14H,2-12H2,1H3
InChIKeyRFYJEFYJNLLSLV-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.49
Rot. Bonds6

About 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine

1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine (PubChem CID 61493973) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
PubChem CID61493973
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCCCN2CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-19(17,18)16-11-5-13(6-12-16)14-7-4-10-15-8-2-3-9-15/h13-14H,2-12H2,1H3
InChIKeyRFYJEFYJNLLSLV-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
4-(3-piperidin-1-ylpropylamino)piperidine-1-carboxylic acid
CID 118140402
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 114135066

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine (CID 61493973) is 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCCCN2CCCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine?
The InChIKey is RFYJEFYJNLLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-19(17,18)16-11-5-13(6-12-16)14-7-4-10-15-8-2-3-9-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine?
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine has a molecular weight of 289.44 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 61493973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).