N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine

C11H24N2S — CID 94885646

IUPACN',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H]1CCCSC1
InChIInChI=1S/C11H24N2S/c1-3-13(4-2)8-7-12-11-6-5-9-14-10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyMWNQWMTVUCAAQP-LLVKDONJSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds6

About N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine

N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine (PubChem CID 94885646) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
PubChem CID94885646
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H]1CCCSC1
InChIInChI=1S/C11H24N2S/c1-3-13(4-2)8-7-12-11-6-5-9-14-10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyMWNQWMTVUCAAQP-LLVKDONJSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(thian-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115882122
(3S)-N-(3-methylbutyl)thian-3-amine
CID 94885631
N-(4-methylpentyl)thian-3-amine
CID 62871286
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675
N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62975333
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467
tert-butyl N-propan-2-yl-N-[2-(thian-3-ylamino)ethyl]carbamate
CID 107245630
(3R)-N-(2-piperidin-1-ylethyl)thian-3-amine
CID 94887182
N-(2-cyclopentyloxyethyl)thian-3-amine
CID 63825120
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
2,2-dimethyl-4-(thian-3-ylamino)butanoic acid
CID 122084398
4-[2-(diethylamino)ethylamino]azepane-1-carbaldehyde
CID 142887001

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine (CID 94885646) is N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine is CCN(CC)CCN[C@@H]1CCCSC1.
What is the InChIKey of N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine?
The InChIKey is MWNQWMTVUCAAQP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2S/c1-3-13(4-2)8-7-12-11-6-5-9-14-10-11/h11-12H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 94885646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).