1-cyclopropyl-4-methylsulfanylpiperidine

C9H17NS — CID 146208797

IUPAC1-cyclopropyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C2CC2)CC1
InChIInChI=1S/C9H17NS/c1-11-9-4-6-10(7-5-9)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyUNBBSSPDLMJTGW-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.98
Rot. Bonds2

About 1-cyclopropyl-4-methylsulfanylpiperidine

1-cyclopropyl-4-methylsulfanylpiperidine (PubChem CID 146208797) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-cyclopropyl-4-methylsulfanylpiperidine
PubChem CID146208797
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-cyclopropyl-4-methylsulfanylpiperidine
SMILESCSC1CCN(C2CC2)CC1
InChIInChI=1S/C9H17NS/c1-11-9-4-6-10(7-5-9)8-2-3-8/h8-9H,2-7H2,1H3
InChIKeyUNBBSSPDLMJTGW-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylcyclohexyl)azetidin-3-ol
CID 166799962
1-cyclopropyl-4-methylsulfanylpiperazine
CID 118352415
1-tert-butyl-4-methylsulfanylpiperidine
CID 68756349
1-cyclopropyl-4-fluoropiperidine
CID 154325828
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
3-(3-methylsulfanylpyrrolidin-1-yl)piperidine
CID 131048051
1-(2-bromoethyl)-4-methylsulfanylpiperidine
CID 126974921
4-methylsulfanyl-1-propan-2-ylazepane
CID 142624919
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylsulfanylpiperidine?
The IUPAC name of 1-cyclopropyl-4-methylsulfanylpiperidine (CID 146208797) is 1-cyclopropyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-cyclopropyl-4-methylsulfanylpiperidine?
The canonical SMILES for 1-cyclopropyl-4-methylsulfanylpiperidine is CSC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-methylsulfanylpiperidine?
The InChIKey is UNBBSSPDLMJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-11-9-4-6-10(7-5-9)8-2-3-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-4-methylsulfanylpiperidine?
1-cyclopropyl-4-methylsulfanylpiperidine has a molecular weight of 171.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 146208797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).