4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine

C14H29NO3S — CID 106722539

IUPAC4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C14H29NO3S/c1-4-9-15-13-5-7-14(8-6-13)18-10-11-19(16,17)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyPIYFAFHQHGJFPG-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.14
Rot. Bonds8

About 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine

4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine (PubChem CID 106722539) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine
PubChem CID106722539
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(OCCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C14H29NO3S/c1-4-9-15-13-5-7-14(8-6-13)18-10-11-19(16,17)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyPIYFAFHQHGJFPG-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,1-Dioxothiolan-3-yl)amino]cyclohexan-1-ol
CID 16785097
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-(2-Methylsulfonylethoxy)cyclohexan-1-amine
CID 62807210
4-(3-Methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]ethanesulfonamide
CID 70020894
4-(2-Methylsulfonylethylamino)cyclohexan-1-ol
CID 70946592
2-(2-methoxycyclohexyl)sulfonyl-N-methylcyclohexan-1-amine
CID 140423211
3-[(4-Methoxycyclohexyl)amino]propane-1-sulfonic acid
CID 142679215
[4-(Propylamino)cyclohexyl] methanesulfonate
CID 163816725
(1r,4r)-4-(Methylamino)cyclohexyl methanesulfonate
CID 165915000
4-(3-Methylsulfonylpropoxy)cyclohexan-1-amine;hydrochloride
CID 169159877
4-(4-Propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 176761201

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine (CID 106722539) is 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine is CCCNC1CCC(OCCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine?
The InChIKey is PIYFAFHQHGJFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-9-15-13-5-7-14(8-6-13)18-10-11-19(16,17)12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine?
4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylsulfonylethoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).