N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide

C10H20F2N2O2S — CID 79111941

IUPACN-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-2-7-14(17(15,16)10(11)12)9-5-3-8(13)4-6-9/h8-10H,2-7,13H2,1H3
InChIKeyRKVBMEULNFUOKX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.52
Rot. Bonds5

About N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide

N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide (PubChem CID 79111941) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide
PubChem CID79111941
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(C1CCC(N)CC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-2-7-14(17(15,16)10(11)12)9-5-3-8(13)4-6-9/h8-10H,2-7,13H2,1H3
InChIKeyRKVBMEULNFUOKX-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-propylcyclopentanesulfonamide
CID 105361427
N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
CID 79672716
N-(2-chloroethyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
CID 63396639
N-(3-aminopropyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 43137019
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
CID 79117102
N-(4-aminocyclohexyl)-2-methylsulfonyl-N-propylpropanamide
CID 104520783
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide (CID 79111941) is N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide is CCCN(C1CCC(N)CC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is RKVBMEULNFUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-2-7-14(17(15,16)10(11)12)9-5-3-8(13)4-6-9/h8-10H,2-7,13H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide?
N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 79111941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).