2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine

C10H23N3S — CID 82891870

IUPAC2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine
SMILESCC(CN)SCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3S/c1-10(9-11)14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyXEAFBJQWHBHAEM-UHFFFAOYSA-N
MW217.38 g/mol
LogP0.31
Rot. Bonds5

About 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine

2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine (PubChem CID 82891870) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine
PubChem CID82891870
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine
SMILESCC(CN)SCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3S/c1-10(9-11)14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyXEAFBJQWHBHAEM-UHFFFAOYSA-N
XLogP0.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 130474542
3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-ol
CID 107771254
1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine
CID 82891941
4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-amine
CID 82892012
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
1-methyl-4-[(2S)-2-methylsulfanylpropyl]piperazine
CID 155404296
methyl 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoate
CID 82889269
1,8-dimethyl-4,11-bis(2-methylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 102469908
(2R)-2-amino-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoic acid
CID 82891712
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine (CID 82891870) is 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine is CC(CN)SCCN1CCN(C)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine?
The InChIKey is XEAFBJQWHBHAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-10(9-11)14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine?
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine is sourced from PubChem (CID 82891870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).