N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine

C14H24N4O2S — CID 115498426

IUPACN-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)16-12-6-5-7-13(15-12)17-8-10-18(11-9-17)21(4,19)20/h5-7H,8-11H2,1-4H3,(H,15,16)
InChIKeyIZWDYTSQJFYSLJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.37
Rot. Bonds3

About N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine

N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine (PubChem CID 115498426) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
PubChem CID115498426
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-14(2,3)16-12-6-5-7-13(15-12)17-8-10-18(11-9-17)21(4,19)20/h5-7H,8-11H2,1-4H3,(H,15,16)
InChIKeyIZWDYTSQJFYSLJ-UHFFFAOYSA-N
XLogP1.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 113323710
N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
CID 115498164
N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
CID 115498157
[6-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 80896715
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516
2-tert-butyl-4-chloro-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 80947034
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
8-(2-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)quinoline
CID 24733626
1-[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63003835
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
2-chloro-4-(4-methylsulfonylpiperazin-1-yl)quinazoline
CID 62993464
1-chloro-3-(4-methylsulfonylpiperazin-1-yl)isoquinoline
CID 30756626

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine (CID 115498426) is N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine is CC(C)(C)Nc1cccc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is IZWDYTSQJFYSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,3)16-12-6-5-7-13(15-12)17-8-10-18(11-9-17)21(4,19)20/h5-7H,8-11H2,1-4H3,(H,15,16).
What are the key properties of N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine?
N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 115498426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).