5-methylpiperidin-3-amine;thiolane

C10H22N2S — CID 153331161

IUPAC5-methylpiperidin-3-amine;thiolane
SMILESC1CCSC1.CC1CNCC(N)C1
InChIInChI=1S/C6H14N2.C4H8S/c1-5-2-6(7)4-8-3-5;1-2-4-5-3-1/h5-6,8H,2-4,7H2,1H3;1-4H2
InChIKeyDUAVQCXSGGQTOJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.46
Rot. Bonds

About 5-methylpiperidin-3-amine;thiolane

5-methylpiperidin-3-amine;thiolane (PubChem CID 153331161) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 5-methylpiperidin-3-amine;thiolane.

Molecular Properties

Compound Name5-methylpiperidin-3-amine;thiolane
PubChem CID153331161
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name5-methylpiperidin-3-amine;thiolane
SMILESC1CCSC1.CC1CNCC(N)C1
InChIInChI=1S/C6H14N2.C4H8S/c1-5-2-6(7)4-8-3-5;1-2-4-5-3-1/h5-6,8H,2-4,7H2,1H3;1-4H2
InChIKeyDUAVQCXSGGQTOJ-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
1-(4-Methylsulfanylpyrrolidin-3-yl)-3-(trifluoromethyl)piperidine
CID 82760328
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
6,7-Dimethyl-1,4-dithia-8-aza-spiro[4.5]decane
CID 6420750
2-Methyl-3-propan-2-ylthiomorpholine
CID 45096104
3-Methyl-2-propan-2-ylthiomorpholine
CID 45096106
3-[(Ethylsulfanyl)methyl]piperidine
CID 53681307
3-[(Propan-2-ylsulfanyl)methyl]piperidine
CID 54383635
3-(Propylsulfanylmethyl)piperidine
CID 54405352
9-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245057
4-Tert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245165

Frequently Asked Questions

What is the IUPAC name of 5-methylpiperidin-3-amine;thiolane?
The IUPAC name of 5-methylpiperidin-3-amine;thiolane (CID 153331161) is 5-methylpiperidin-3-amine;thiolane.
What is the SMILES notation for 5-methylpiperidin-3-amine;thiolane?
The canonical SMILES for 5-methylpiperidin-3-amine;thiolane is C1CCSC1.CC1CNCC(N)C1.
What is the InChIKey of 5-methylpiperidin-3-amine;thiolane?
The InChIKey is DUAVQCXSGGQTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C4H8S/c1-5-2-6(7)4-8-3-5;1-2-4-5-3-1/h5-6,8H,2-4,7H2,1H3;1-4H2.
What are the key properties of 5-methylpiperidin-3-amine;thiolane?
5-methylpiperidin-3-amine;thiolane has a molecular weight of 202.37 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpiperidin-3-amine;thiolane is sourced from PubChem (CID 153331161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).