1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine

C15H27N5O2S — CID 136905648

IUPAC1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC[C@H]2CNc3ccnn3C2)CC1
InChIInChI=1S/C15H27N5O2S/c1-2-9-23(21,22)19-7-4-14(5-8-19)16-10-13-11-17-15-3-6-18-20(15)12-13/h3,6,13-14,16-17H,2,4-5,7-12H2,1H3/t13-/m0/s1
InChIKeyPAHMJBIMNJPNTL-ZDUSSCGKSA-N
MW341.48 g/mol
LogP0.72
Rot. Bonds6

About 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine

1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine (PubChem CID 136905648) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
PubChem CID136905648
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC[C@H]2CNc3ccnn3C2)CC1
InChIInChI=1S/C15H27N5O2S/c1-2-9-23(21,22)19-7-4-14(5-8-19)16-10-13-11-17-15-3-6-18-20(15)12-13/h3,6,13-14,16-17H,2,4-5,7-12H2,1H3/t13-/m0/s1
InChIKeyPAHMJBIMNJPNTL-ZDUSSCGKSA-N
XLogP0.72
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
N-[(5-iodofuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43791483
N-ethyl-N-[3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propyl]methanesulfonamide
CID 136905414
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
N-(cyclopentylmethyl)-1-ethylsulfonylpiperidin-4-amine
CID 62069812
(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718070
N-[(5-propylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrimidin-2-amine
CID 133141858
N-(1H-imidazol-5-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 62761764
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine (CID 136905648) is 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine is CCCS(=O)(=O)N1CCC(NC[C@H]2CNc3ccnn3C2)CC1.
What is the InChIKey of 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine?
The InChIKey is PAHMJBIMNJPNTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-2-9-23(21,22)19-7-4-14(5-8-19)16-10-13-11-17-15-3-6-18-20(15)12-13/h3,6,13-14,16-17H,2,4-5,7-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine?
1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine has a molecular weight of 341.48 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 136905648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).