4-(3-methylbutylsulfanyl)piperidine

C10H21NS — CID 20735397

IUPAC4-(3-methylbutylsulfanyl)piperidine
SMILESCC(C)CCSC1CCNCC1
InChIInChI=1S/C10H21NS/c1-9(2)5-8-12-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyZQJOJFAPXGFSGD-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About 4-(3-methylbutylsulfanyl)piperidine

4-(3-methylbutylsulfanyl)piperidine (PubChem CID 20735397) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(3-methylbutylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(3-methylbutylsulfanyl)piperidine
PubChem CID20735397
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(3-methylbutylsulfanyl)piperidine
SMILESCC(C)CCSC1CCNCC1
InChIInChI=1S/C10H21NS/c1-9(2)5-8-12-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3
InChIKeyZQJOJFAPXGFSGD-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
CID 46941523
4-Isobutyl-2,6-dimethyl-1,3,5-dithiazinane
CID 71587382
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
CID 88623012
1,3,5-Dithiazine, perhydro-6-butyl-2,4-dimethyl
CID 529058
2H-1,3-Thiazine, tetrahydro-2-butyl-, hydrochloride
CID 3061405
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
Methyl((thian-4-yl)methyl)amine
CID 24229643
4-((Methylsulfanyl)methyl)piperidine hydrochloride
CID 56773736
3-[(Methylsulfanyl)methyl]piperidine hydrochloride
CID 56773818
2-(Propan-2-yl)thiomorpholine
CID 56807259
4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
(2S,4R,6S)-4-butyl-2,6-dimethyl-1,3,5-dithiazinane
CID 162979695

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylsulfanyl)piperidine?
The IUPAC name of 4-(3-methylbutylsulfanyl)piperidine (CID 20735397) is 4-(3-methylbutylsulfanyl)piperidine.
What is the SMILES notation for 4-(3-methylbutylsulfanyl)piperidine?
The canonical SMILES for 4-(3-methylbutylsulfanyl)piperidine is CC(C)CCSC1CCNCC1.
What is the InChIKey of 4-(3-methylbutylsulfanyl)piperidine?
The InChIKey is ZQJOJFAPXGFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2)5-8-12-10-3-6-11-7-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutylsulfanyl)piperidine?
4-(3-methylbutylsulfanyl)piperidine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylsulfanyl)piperidine is sourced from PubChem (CID 20735397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).