1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

C10H23NO2S2 — CID 106724509

IUPAC1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCCSCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S2/c1-5-14-8-10(4)11-6-7-15(12,13)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyZDBROUMECVARSM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.54
Rot. Bonds8

About 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine

1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (PubChem CID 106724509) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
PubChem CID106724509
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
SMILESCCSCC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C10H23NO2S2/c1-5-14-8-10(4)11-6-7-15(12,13)9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyZDBROUMECVARSM-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
CID 106724402
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
CID 106723563
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
2-(4-ethylsulfanylbutan-2-ylamino)ethanesulfonamide
CID 114385225
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
2,3-dichloro-N-(1-ethylsulfanylpropan-2-yl)prop-2-en-1-amine
CID 104869062
N-(2,2-dimethoxyethyl)-1-ethylsulfanylpropan-2-amine
CID 112704508

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine (CID 106724509) is 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is CCSCC(C)NCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
The InChIKey is ZDBROUMECVARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S2/c1-5-14-8-10(4)11-6-7-15(12,13)9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine?
1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 106724509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).