6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine

C13H29N3O2S — CID 65295734

IUPAC6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(5-4-6-13(2)14)11-15-7-9-16(10-8-15)19(3,17)18/h12-13H,4-11,14H2,1-3H3
InChIKeyHGCMBPZRFCNBQN-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.72
Rot. Bonds7

About 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine

6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine (PubChem CID 65295734) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine
PubChem CID65295734
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(5-4-6-13(2)14)11-15-7-9-16(10-8-15)19(3,17)18/h12-13H,4-11,14H2,1-3H3
InChIKeyHGCMBPZRFCNBQN-UHFFFAOYSA-N
XLogP0.72
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine?
The IUPAC name of 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine (CID 65295734) is 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine.
What is the SMILES notation for 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine?
The canonical SMILES for 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine is CC(N)CCCC(C)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine?
The InChIKey is HGCMBPZRFCNBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(5-4-6-13(2)14)11-15-7-9-16(10-8-15)19(3,17)18/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine?
6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine is sourced from PubChem (CID 65295734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).