1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen

C14H31NO2S — CID 143011966

IUPAC1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen
SMILESCC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1.[H][H]
InChIInChI=1S/C14H29NO2S.H2/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5;/h12,15H,6-11H2,1-5H3;1H
InChIKeyIWEJUQYATSJYDE-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.15
Rot. Bonds4

About 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen

1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen (PubChem CID 143011966) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen
PubChem CID143011966
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen
SMILESCC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1.[H][H]
InChIInChI=1S/C14H29NO2S.H2/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5;/h12,15H,6-11H2,1-5H3;1H
InChIKeyIWEJUQYATSJYDE-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen?
The IUPAC name of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen (CID 143011966) is 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen is CC(C)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1.[H][H].
What is the InChIKey of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen?
The InChIKey is IWEJUQYATSJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S.H2/c1-12(2)15-14(9-7-6-8-10-14)11-18(16,17)13(3,4)5;/h12,15H,6-11H2,1-5H3;1H.
What are the key properties of 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen?
1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen has a molecular weight of 277.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)-N-propan-2-ylcyclohexan-1-amine;molecular hydrogen is sourced from PubChem (CID 143011966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).