6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one

C14H28N2OS — CID 114237000

IUPAC6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
SMILESCSC1CCN(C(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C14H28N2OS/c1-11(5-4-6-12(2)15)14(17)16-9-7-13(18-3)8-10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyVMTCJWCJXZPYEQ-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.49
Rot. Bonds6

About 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one

6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one (PubChem CID 114237000) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
PubChem CID114237000
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
SMILESCSC1CCN(C(=O)C(C)CCCC(C)N)CC1
InChIInChI=1S/C14H28N2OS/c1-11(5-4-6-12(2)15)14(17)16-9-7-13(18-3)8-10-16/h11-13H,4-10,15H2,1-3H3
InChIKeyVMTCJWCJXZPYEQ-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 65290352
2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
CID 131181690
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332
3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
CID 115348007
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888932
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one (CID 114237000) is 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one is CSC1CCN(C(=O)C(C)CCCC(C)N)CC1.
What is the InChIKey of 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one?
The InChIKey is VMTCJWCJXZPYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(5-4-6-12(2)15)14(17)16-9-7-13(18-3)8-10-16/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one?
6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one has a molecular weight of 272.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one is sourced from PubChem (CID 114237000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).