(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine

C6H16N2O2S — CID 104867919

IUPAC(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCCS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(5-7)8-3-4-11(2,9)10/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyBBEOTPBRMBLSJD-ZCFIWIBFSA-N
MW180.27 g/mol
LogP-1.03
Rot. Bonds5

About (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine

(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine (PubChem CID 104867919) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
PubChem CID104867919
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
SMILESC[C@H](CN)NCCS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(5-7)8-3-4-11(2,9)10/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyBBEOTPBRMBLSJD-ZCFIWIBFSA-N
XLogP-1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
1-methylsulfonyl-2-(sulfamoylamino)ethane
CID 112688958
2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
(2S)-4-(4-methylphenyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 97230944
2-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1,2-diamine
CID 103389816
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The IUPAC name of (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine (CID 104867919) is (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine is C[C@H](CN)NCCS(C)(=O)=O.
What is the InChIKey of (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
The InChIKey is BBEOTPBRMBLSJD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(5-7)8-3-4-11(2,9)10/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine?
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine has a molecular weight of 180.27 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine is sourced from PubChem (CID 104867919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).