6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine

C15H33NO2S — CID 106732369

IUPAC6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-8-10-16-13(2)12-15(6,7)9-11-19(17,18)14(3,4)5/h13,16H,8-12H2,1-7H3
InChIKeyKVBKEJGNZMIXRS-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.39
Rot. Bonds8

About 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine

6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine (PubChem CID 106732369) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
PubChem CID106732369
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC Name6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(C)CC(C)(C)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-8-10-16-13(2)12-15(6,7)9-11-19(17,18)14(3,4)5/h13,16H,8-12H2,1-7H3
InChIKeyKVBKEJGNZMIXRS-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818
6-ethylsulfonyl-N,4,4-trimethylhexan-2-amine
CID 106732362
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264
4,4,5-trimethyl-N-propylheptan-2-amine
CID 79446561
N-ethyl-4,4-dimethyltetradecan-2-amine
CID 64718292
N-ethyl-4,4-dimethyldodecan-2-amine
CID 64717862
tert-butyl 2-[4-(propylamino)pentan-2-ylsulfonyl]acetate
CID 116687609
1-tert-butylsulfonyl-3-methoxy-N-propylpropan-2-amine
CID 107508526
5-tert-butylsulfonyl-N-ethyl-3-methylpentan-2-amine
CID 106727166
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
6-ethylsulfonyl-4-methyl-N-propylhexan-2-amine
CID 106732355

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine?
The IUPAC name of 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine (CID 106732369) is 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine?
The canonical SMILES for 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine is CCCNC(C)CC(C)(C)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine?
The InChIKey is KVBKEJGNZMIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-8-10-16-13(2)12-15(6,7)9-11-19(17,18)14(3,4)5/h13,16H,8-12H2,1-7H3.
What are the key properties of 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine?
6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine has a molecular weight of 291.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 106732369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).