N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine

C15H29N3O2S — CID 106317148

IUPACN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(S(=O)(=O)N2CCCCC2CNC(C)C)C1
InChIInChI=1S/C15H29N3O2S/c1-13(2)16-11-15-8-4-5-10-18(15)21(19,20)17-9-6-7-14(3)12-17/h7,13,15-16H,4-6,8-12H2,1-3H3
InChIKeyVNWXXVGIQJNHAQ-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine

N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine (PubChem CID 106317148) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine
PubChem CID106317148
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(S(=O)(=O)N2CCCCC2CNC(C)C)C1
InChIInChI=1S/C15H29N3O2S/c1-13(2)16-11-15-8-4-5-10-18(15)21(19,20)17-9-6-7-14(3)12-17/h7,13,15-16H,4-6,8-12H2,1-3H3
InChIKeyVNWXXVGIQJNHAQ-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine (CID 106317148) is N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine is CC1=CCCN(S(=O)(=O)N2CCCCC2CNC(C)C)C1.
What is the InChIKey of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is VNWXXVGIQJNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13(2)16-11-15-8-4-5-10-18(15)21(19,20)17-9-6-7-14(3)12-17/h7,13,15-16H,4-6,8-12H2,1-3H3.
What are the key properties of N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine?
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 315.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106317148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).