2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol

C9H22N2S2 — CID 20625586

IUPAC2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCC(C)N(CCS)CCNCCS
InChIInChI=1S/C9H22N2S2/c1-9(2)11(6-8-13)5-3-10-4-7-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyDTVZRZQJTKPKQW-UHFFFAOYSA-N
MW222.42 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol

2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol (PubChem CID 20625586) has the molecular formula C9H22N2S2 and a molecular weight of 222.42 g/mol. Its IUPAC name is 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID20625586
Molecular FormulaC9H22N2S2
Molecular Weight222.42 g/mol
Exact Mass222.12
IUPAC Name2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCC(C)N(CCS)CCNCCS
InChIInChI=1S/C9H22N2S2/c1-9(2)11(6-8-13)5-3-10-4-7-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyDTVZRZQJTKPKQW-UHFFFAOYSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethyl-trimethylazanium
CID 176601730
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
CID 176601530
N'-ethyl-N'-propan-2-yl-N-prop-2-enylethane-1,2-diamine
CID 62574549
N',N'-diethyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]ethane-1,2-diamine
CID 62554657
3-[methyl-[2-[2-[2-[2-[methyl(3-oxopropyl)amino]ethylamino]ethyl-propan-2-ylamino]ethylamino]ethyl]amino]propanoic acid
CID 157189779
N-(cyclopropylmethyl)-N'-ethyl-N'-propan-2-ylethane-1,2-diamine
CID 60867492
2-[2-[carboxymethyl(propan-2-yl)amino]ethylamino]ethyl-trimethylazanium
CID 176601656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol (CID 20625586) is 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol is CC(C)N(CCS)CCNCCS.
What is the InChIKey of 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The InChIKey is DTVZRZQJTKPKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2S2/c1-9(2)11(6-8-13)5-3-10-4-7-12/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol has a molecular weight of 222.42 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol is sourced from PubChem (CID 20625586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).