(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine

C15H24N4S — CID 99853750

IUPAC(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
SMILESc1cnc(N2CCC[C@@H](CN[C@@H]3CCCSC3)C2)nc1
InChIInChI=1S/C15H24N4S/c1-4-13(10-18-14-5-2-9-20-12-14)11-19(8-1)15-16-6-3-7-17-15/h3,6-7,13-14,18H,1-2,4-5,8-12H2/t13-,14+/m0/s1
InChIKeyPTKUBDFGBJFVLC-UONOGXRCSA-N
MW292.45 g/mol
LogP2.18
Rot. Bonds4

About (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine

(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine (PubChem CID 99853750) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
PubChem CID99853750
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
SMILESc1cnc(N2CCC[C@@H](CN[C@@H]3CCCSC3)C2)nc1
InChIInChI=1S/C15H24N4S/c1-4-13(10-18-14-5-2-9-20-12-14)11-19(8-1)15-16-6-3-7-17-15/h3,6-7,13-14,18H,1-2,4-5,8-12H2/t13-,14+/m0/s1
InChIKeyPTKUBDFGBJFVLC-UONOGXRCSA-N
XLogP2.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine with MolForge

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Related Compounds

N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 119037395
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
N-[[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55219574
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine?
The IUPAC name of (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine (CID 99853750) is (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine.
What is the SMILES notation for (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine?
The canonical SMILES for (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine is c1cnc(N2CCC[C@@H](CN[C@@H]3CCCSC3)C2)nc1.
What is the InChIKey of (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine?
The InChIKey is PTKUBDFGBJFVLC-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-13(10-18-14-5-2-9-20-12-14)11-19(8-1)15-16-6-3-7-17-15/h3,6-7,13-14,18H,1-2,4-5,8-12H2/t13-,14+/m0/s1.
What are the key properties of (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine?
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine has a molecular weight of 292.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine is sourced from PubChem (CID 99853750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).