1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

C18H32N4S — CID 75382615

IUPAC1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H32N4S/c1-15(14-23-18(2,3)4)19-12-16-6-7-17(20-13-16)22-10-8-21(5)9-11-22/h6-7,13,15,19H,8-12,14H2,1-5H3
InChIKeyXSRWOZZONDXJJR-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.84
Rot. Bonds6

About 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine

1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 75382615) has the molecular formula C18H32N4S and a molecular weight of 336.55 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID75382615
Molecular FormulaC18H32N4S
Molecular Weight336.55 g/mol
Exact Mass336.23
IUPAC Name1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(CSC(C)(C)C)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H32N4S/c1-15(14-23-18(2,3)4)19-12-16-6-7-17(20-13-16)22-10-8-21(5)9-11-22/h6-7,13,15,19H,8-12,14H2,1-5H3
InChIKeyXSRWOZZONDXJJR-UHFFFAOYSA-N
XLogP2.84
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

1-tert-butylsulfanyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 75382775
1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 75382614
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
CID 133481724
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropyl)guanidine
CID 111180921
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 75382615) is 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CC(CSC(C)(C)C)NCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is XSRWOZZONDXJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4S/c1-15(14-23-18(2,3)4)19-12-16-6-7-17(20-13-16)22-10-8-21(5)9-11-22/h6-7,13,15,19H,8-12,14H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 336.55 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 75382615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).