N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine

C10H24N2O2S — CID 107445725

IUPACN'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
SMILESCC(CS(C)(=O)=O)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-9(8-15(5,13)14)11-6-7-12-10(2,3)4/h9,11-12H,6-8H2,1-5H3
InChIKeyWNXPNWDJMDLXAM-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.40
Rot. Bonds6

About N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine

N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine (PubChem CID 107445725) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
PubChem CID107445725
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
SMILESCC(CS(C)(=O)=O)NCCNC(C)(C)C
InChIInChI=1S/C10H24N2O2S/c1-9(8-15(5,13)14)11-6-7-12-10(2,3)4/h9,11-12H,6-8H2,1-5H3
InChIKeyWNXPNWDJMDLXAM-UHFFFAOYSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
2-(1-methylsulfonylpropan-2-ylamino)ethylurea
CID 83111655
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029
N-(2-cyclohexylethyl)-1-methylsulfonylpropan-2-amine
CID 64630559
N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784
2,2,4-trimethyl-N-(1-methylsulfonylpropan-2-yl)pentan-1-amine
CID 115901432
N'-tert-butyl-N-hexan-2-ylethane-1,2-diamine
CID 79257480
N'-tert-butyl-N-pent-4-yn-2-ylethane-1,2-diamine
CID 107446123
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine (CID 107445725) is N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine is CC(CS(C)(=O)=O)NCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is WNXPNWDJMDLXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-9(8-15(5,13)14)11-6-7-12-10(2,3)4/h9,11-12H,6-8H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine?
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107445725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).