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

C10H23N3S — CID 82891941

IUPAC1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3S/c1-10(11)9-14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyLHJAEVNEHYKIAT-UHFFFAOYSA-N
MW217.38 g/mol
LogP0.31
Rot. Bonds5

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

1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine (PubChem CID 82891941) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine
PubChem CID82891941
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3S/c1-10(11)9-14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3
InChIKeyLHJAEVNEHYKIAT-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

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-amine
CID 82892012
(2R)-2-amino-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoic acid
CID 82891712
methyl 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoate
CID 82889269
1-methyl-4-(2-propan-2-ylsulfanylethyl)piperazine
CID 130474542
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-1-amine
CID 82891870
methyl 2-amino-4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butanoate
CID 82892086
3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-ol
CID 107771254
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
3-methyl-1-(4-methylpiperazin-1-yl)butan-2-amine
CID 43199421
1-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]propan-2-amine
CID 66218738
2-[2-[2-(2-aminoethylsulfanyl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethylsulfanyl]ethanamine;ethane
CID 171080489
1,8-dimethyl-4,11-bis(2-methylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 102469908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine (CID 82891941) is 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine is CC(N)CSCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine?
The InChIKey is LHJAEVNEHYKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-10(11)9-14-8-7-13-5-3-12(2)4-6-13/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine?
1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-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 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 82891941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).