1-[(3R)-thiolan-3-yl]piperidin-4-amine

C9H18N2S — CID 29009632

IUPAC1-[(3R)-thiolan-3-yl]piperidin-4-amine
SMILESNC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C9H18N2S/c10-8-1-4-11(5-2-8)9-3-6-12-7-9/h8-9H,1-7,10H2/t9-/m1/s1
InChIKeyWLEGAICMEFUGLL-SECBINFHSA-N
MW186.32 g/mol
LogP0.92
Rot. Bonds1

About 1-[(3R)-thiolan-3-yl]piperidin-4-amine

1-[(3R)-thiolan-3-yl]piperidin-4-amine (PubChem CID 29009632) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-[(3R)-thiolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3R)-thiolan-3-yl]piperidin-4-amine
PubChem CID29009632
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-[(3R)-thiolan-3-yl]piperidin-4-amine
SMILESNC1CCN([C@@H]2CCSC2)CC1
InChIInChI=1S/C9H18N2S/c10-8-1-4-11(5-2-8)9-3-6-12-7-9/h8-9H,1-7,10H2/t9-/m1/s1
InChIKeyWLEGAICMEFUGLL-SECBINFHSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
N-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80584187
N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103780268
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
1-(2,2-difluoroethyl)-N-(thiolan-3-yl)piperidin-4-amine
CID 115714951
1-[(3-Fluorothiolan-3-yl)methyl]piperidin-4-amine
CID 126845982
1-methyl-N-(thian-4-yl)piperidin-4-amine
CID 43394899
3-(Pyrrolidin-1-ylmethyl)thiomorpholine
CID 15730147
1-[2-(Methylthio)ethyl]-4-piperidinamine
CID 18001931
(R)-3-(1-pyrrolidinylmethyl)thiomorpholine
CID 18645474

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-thiolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[(3R)-thiolan-3-yl]piperidin-4-amine (CID 29009632) is 1-[(3R)-thiolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[(3R)-thiolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[(3R)-thiolan-3-yl]piperidin-4-amine is NC1CCN([C@@H]2CCSC2)CC1.
What is the InChIKey of 1-[(3R)-thiolan-3-yl]piperidin-4-amine?
The InChIKey is WLEGAICMEFUGLL-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2S/c10-8-1-4-11(5-2-8)9-3-6-12-7-9/h8-9H,1-7,10H2/t9-/m1/s1.
What are the key properties of 1-[(3R)-thiolan-3-yl]piperidin-4-amine?
1-[(3R)-thiolan-3-yl]piperidin-4-amine has a molecular weight of 186.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-thiolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 29009632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).