N-(3-methylsulfonylpropyl)pyrrolidin-3-amine

C8H18N2O2S — CID 79747715

IUPACN-(3-methylsulfonylpropyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCCNC1CCNC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)6-2-4-10-8-3-5-9-7-8/h8-10H,2-7H2,1H3
InChIKeySDJAAYPTMWLLQL-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.63
Rot. Bonds5

About N-(3-methylsulfonylpropyl)pyrrolidin-3-amine

N-(3-methylsulfonylpropyl)pyrrolidin-3-amine (PubChem CID 79747715) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)pyrrolidin-3-amine
PubChem CID79747715
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(3-methylsulfonylpropyl)pyrrolidin-3-amine
SMILESCS(=O)(=O)CCCNC1CCNC1
InChIInChI=1S/C8H18N2O2S/c1-13(11,12)6-2-4-10-8-3-5-9-7-8/h8-10H,2-7H2,1H3
InChIKeySDJAAYPTMWLLQL-UHFFFAOYSA-N
XLogP-0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768
N-(2-cyclopropylsulfonylethyl)pyrrolidin-3-amine
CID 84684022
N-(3-methylsulfonylpropyl)thian-4-amine
CID 61020529
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043
N',N'-dimethyl-N-[(3S)-pyrrolidin-3-yl]propane-1,3-diamine;trihydrobromide
CID 66986857
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
N-but-3-ynylpyrrolidin-3-amine
CID 79741791
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)pyrrolidin-3-amine (CID 79747715) is N-(3-methylsulfonylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)pyrrolidin-3-amine is CS(=O)(=O)CCCNC1CCNC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)pyrrolidin-3-amine?
The InChIKey is SDJAAYPTMWLLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-13(11,12)6-2-4-10-8-3-5-9-7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)pyrrolidin-3-amine?
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine has a molecular weight of 206.31 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 79747715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).