(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine

C9H14N2O2S — CID 59278132

IUPAC(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C9H14N2O2S/c1-3-8(10)7-4-5-9(11-6-7)14(2,12)13/h4-6,8H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyHFTAJPKEDFAMQP-QMMMGPOBSA-N
MW214.29 g/mol
LogP0.89
Rot. Bonds3

About (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine

(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine (PubChem CID 59278132) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine
PubChem CID59278132
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C9H14N2O2S/c1-3-8(10)7-4-5-9(11-6-7)14(2,12)13/h4-6,8H,3,10H2,1-2H3/t8-/m0/s1
InChIKeyHFTAJPKEDFAMQP-QMMMGPOBSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine?
The IUPAC name of (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine (CID 59278132) is (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine is CC[C@H](N)c1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine?
The InChIKey is HFTAJPKEDFAMQP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-8(10)7-4-5-9(11-6-7)14(2,12)13/h4-6,8H,3,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine?
(1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine has a molecular weight of 214.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methylsulfonyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 59278132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).