1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine

C16H24N2S — CID 103709840

IUPAC1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
SMILESC=CCSCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2S/c1-2-11-19-12-9-17-16-8-10-18(14-16)13-15-6-4-3-5-7-15/h2-7,16-17H,1,8-14H2
InChIKeyMHRXOAPRCWWCQY-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.77
Rot. Bonds8

About 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine

1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine (PubChem CID 103709840) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
PubChem CID103709840
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine
SMILESC=CCSCCNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2S/c1-2-11-19-12-9-17-16-8-10-18(14-16)13-15-6-4-3-5-7-15/h2-7,16-17H,1,8-14H2
InChIKeyMHRXOAPRCWWCQY-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
3-[2-[(1-benzylpiperidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103699229
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
CID 43145154
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine (CID 103709840) is 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine is C=CCSCCNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine?
The InChIKey is MHRXOAPRCWWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-2-11-19-12-9-17-16-8-10-18(14-16)13-15-6-4-3-5-7-15/h2-7,16-17H,1,8-14H2.
What are the key properties of 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine?
1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine has a molecular weight of 276.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-prop-2-enylsulfanylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 103709840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).