N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine

C17H29N3S — CID 70749545

IUPACN-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCSCc1ccc(N(C)CC2CCCN(C(C)C)C2)nc1
InChIInChI=1S/C17H29N3S/c1-14(2)20-9-5-6-16(12-20)11-19(3)17-8-7-15(10-18-17)13-21-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3
InChIKeyATGFWNLBMWHSPQ-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.50
Rot. Bonds6

About N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine

N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine (PubChem CID 70749545) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine
PubChem CID70749545
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine
SMILESCSCc1ccc(N(C)CC2CCCN(C(C)C)C2)nc1
InChIInChI=1S/C17H29N3S/c1-14(2)20-9-5-6-16(12-20)11-19(3)17-8-7-15(10-18-17)13-21-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3
InChIKeyATGFWNLBMWHSPQ-UHFFFAOYSA-N
XLogP3.50
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine (CID 70749545) is N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine is CSCc1ccc(N(C)CC2CCCN(C(C)C)C2)nc1.
What is the InChIKey of N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is ATGFWNLBMWHSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-14(2)20-9-5-6-16(12-20)11-19(3)17-8-7-15(10-18-17)13-21-4/h7-8,10,14,16H,5-6,9,11-13H2,1-4H3.
What are the key properties of N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine?
N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylsulfanylmethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 70749545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).