2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane

C8H20N2O2S — CID 57206059

IUPAC2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(=O)O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeyPQVHOBQFQWDWCV-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.83
Rot. Bonds6

About 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane

2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane (PubChem CID 57206059) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane
PubChem CID57206059
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(=O)O)C(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12)
InChIKeyPQVHOBQFQWDWCV-UHFFFAOYSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[propan-2-yl-[2-(sulfinatoamino)ethyl]amino]propane
CID 57206058
1-(dimethylamino)-4-(sulfinoamino)butane
CID 90942652
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
1-(dimethylamino)-5-(sulfinoamino)pentane
CID 91318979
1-[2-[di(propan-2-yl)amino]ethyl]-3-pentylurea
CID 4984668
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
3-[2-[di(propan-2-yl)amino]ethylamino]-2-methylpropanoic acid
CID 43538375
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
N-butyl-2-[2-[di(propan-2-yl)amino]ethylamino]acetamide
CID 60672606

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane?
The IUPAC name of 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane (CID 57206059) is 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane.
What is the SMILES notation for 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane?
The canonical SMILES for 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane is CC(C)N(CCNS(=O)O)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane?
The InChIKey is PQVHOBQFQWDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)10(8(3)4)6-5-9-13(11)12/h7-9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane?
2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane has a molecular weight of 208.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(sulfinoamino)ethyl]amino]propane is sourced from PubChem (CID 57206059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).