N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine

C12H27N3S — CID 107132785

IUPACN-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)C1CCSC1
InChIInChI=1S/C12H27N3S/c1-3-15(4-2)7-6-14-12(9-13)11-5-8-16-10-11/h11-12,14H,3-10,13H2,1-2H3
InChIKeySNMHNIXJEUENEZ-UHFFFAOYSA-N
MW245.44 g/mol
LogP1.00
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132785) has the molecular formula C12H27N3S and a molecular weight of 245.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132785
Molecular FormulaC12H27N3S
Molecular Weight245.44 g/mol
Exact Mass245.19
IUPAC NameN-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)C1CCSC1
InChIInChI=1S/C12H27N3S/c1-3-15(4-2)7-6-14-12(9-13)11-5-8-16-10-11/h11-12,14H,3-10,13H2,1-2H3
InChIKeySNMHNIXJEUENEZ-UHFFFAOYSA-N
XLogP1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132892
3-cyclopentyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114193134
N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132663
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
3-cyclohexyl-N-propyl-1-(thiolan-3-yl)propan-1-amine
CID 114192980
2-(thiolan-3-yl)butan-1-amine
CID 82596112
N-[2-propoxy-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105165367
2-(ethylamino)-2-(thiolan-3-yl)acetamide
CID 107132951
2-[2-(diethylamino)ethylamino]-2-(oxan-4-yl)ethanol
CID 62392141
N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132891
N-[1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105081992

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132785) is N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine is CCN(CC)CCNC(CN)C1CCSC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is SNMHNIXJEUENEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3S/c1-3-15(4-2)7-6-14-12(9-13)11-5-8-16-10-11/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 245.44 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).