(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine

C14H29NO2S — CID 64698832

IUPAC(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
SMILESCCCS(=O)(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C14H29NO2S/c1-5-8-18(16,17)13-9-12(14(2,3)4)7-6-11(13)10-15/h11-13H,5-10,15H2,1-4H3
InChIKeyMQNUNIMRZPYOKR-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.60
Rot. Bonds4

About (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine

(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine (PubChem CID 64698832) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
PubChem CID64698832
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
SMILESCCCS(=O)(=O)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C14H29NO2S/c1-5-8-18(16,17)13-9-12(14(2,3)4)7-6-11(13)10-15/h11-13H,5-10,15H2,1-4H3
InChIKeyMQNUNIMRZPYOKR-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine (CID 64698832) is (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine is CCCS(=O)(=O)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine?
The InChIKey is MQNUNIMRZPYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-8-18(16,17)13-9-12(14(2,3)4)7-6-11(13)10-15/h11-13H,5-10,15H2,1-4H3.
What are the key properties of (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine?
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine has a molecular weight of 275.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 64698832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).