1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine

C14H19NS — CID 143703750

IUPAC1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine
SMILESc1cc(SC2CC2)ccc1CN1CCCC1
InChIInChI=1S/C14H19NS/c1-2-10-15(9-1)11-12-3-5-13(6-4-12)16-14-7-8-14/h3-6,14H,1-2,7-11H2
InChIKeyVLDLNAHRALBVAI-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.54
Rot. Bonds4

About 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine

1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine (PubChem CID 143703750) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine
PubChem CID143703750
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine
SMILESc1cc(SC2CC2)ccc1CN1CCCC1
InChIInChI=1S/C14H19NS/c1-2-10-15(9-1)11-12-3-5-13(6-4-12)16-14-7-8-14/h3-6,14H,1-2,7-11H2
InChIKeyVLDLNAHRALBVAI-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyclopropylsulfanylphenyl)methyl]piperazine
CID 117374711
1-[[4-(azetidin-3-ylsulfanyl)phenyl]methyl]pyrrolidine
CID 66653518
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-benzyl-4-(4-chlorophenyl)sulfanylpiperidine;(Z)-but-2-enedioic acid
CID 70446673
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
3-[[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]methyl]benzoic acid
CID 122029319
1-benzylazepane
CID 10954328
1-[[4-(chloromethyl)phenyl]methyl]azetidine
CID 134561394
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine (CID 143703750) is 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine is c1cc(SC2CC2)ccc1CN1CCCC1.
What is the InChIKey of 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine?
The InChIKey is VLDLNAHRALBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-10-15(9-1)11-12-3-5-13(6-4-12)16-14-7-8-14/h3-6,14H,1-2,7-11H2.
What are the key properties of 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine?
1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine has a molecular weight of 233.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylsulfanylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 143703750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).