(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine

C16H26N2O2S — CID 166538063

IUPAC(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine
SMILES[H]N=S(=O)(C[C@@H](C)N)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-13(17)12-21(18,19)16-9-5-8-15(10-16)20-11-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12,17H2,1H3/t13-,21?/m1/s1
InChIKeyIROSJWCBGWPURO-ILRUXTBWSA-N
MW310.46 g/mol
LogP3.40
Rot. Bonds6

About (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine

(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine (PubChem CID 166538063) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine
PubChem CID166538063
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine
SMILES[H]N=S(=O)(C[C@@H](C)N)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-13(17)12-21(18,19)16-9-5-8-15(10-16)20-11-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12,17H2,1H3/t13-,21?/m1/s1
InChIKeyIROSJWCBGWPURO-ILRUXTBWSA-N
XLogP3.40
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]-2-methylpropan-2-amine
CID 166538029
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
2-[3-(cyclohexylmethoxy)phenyl]sulfonylethanamine
CID 25256104
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
CID 143785987
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine?
The IUPAC name of (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine (CID 166538063) is (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine?
The canonical SMILES for (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine is [H]N=S(=O)(C[C@@H](C)N)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine?
The InChIKey is IROSJWCBGWPURO-ILRUXTBWSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(17)12-21(18,19)16-9-5-8-15(10-16)20-11-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12,17H2,1H3/t13-,21?/m1/s1.
What are the key properties of (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine?
(2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(cyclohexylmethoxy)phenyl]sulfonimidoyl]propan-2-amine is sourced from PubChem (CID 166538063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).