6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine

C13H29NO2S — CID 114211104

IUPAC6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)(C)C)CS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-6-10-14-12(11-17(5,15)16)8-7-9-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyFVNPQQPSSSJCIF-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.62
Rot. Bonds8

About 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine

6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine (PubChem CID 114211104) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
PubChem CID114211104
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)(C)C)CS(C)(=O)=O
InChIInChI=1S/C13H29NO2S/c1-6-10-14-12(11-17(5,15)16)8-7-9-13(2,3)4/h12,14H,6-11H2,1-5H3
InChIKeyFVNPQQPSSSJCIF-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
4-methyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 115601883
1-methylsulfonyl-N-propylpent-4-yn-2-amine
CID 115601083
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
5,7,7-trimethyl-1-methylsulfonyl-N-propyloctan-3-amine
CID 115848596
1-methylsulfonylhexan-2-ylhydrazine
CID 105293864
N-methyl-1-methylsulfonyldodecan-2-amine
CID 55093567
3-ethyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 105013715
1-methylsulfonyl-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 115623841

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine?
The IUPAC name of 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine (CID 114211104) is 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine.
What is the SMILES notation for 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine?
The canonical SMILES for 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine is CCCNC(CCCC(C)(C)C)CS(C)(=O)=O.
What is the InChIKey of 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine?
The InChIKey is FVNPQQPSSSJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-10-14-12(11-17(5,15)16)8-7-9-13(2,3)4/h12,14H,6-11H2,1-5H3.
What are the key properties of 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine?
6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine is sourced from PubChem (CID 114211104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).