N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C11H24N2O2S — CID 62635054

IUPACN-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)13(3)7-6-12-11-4-8-16(14,15)9-5-11/h10-12H,4-9H2,1-3H3
InChIKeyJJAIRJWAFWZLAY-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62635054) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62635054
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-10(2)13(3)7-6-12-11-4-8-16(14,15)9-5-11/h10-12H,4-9H2,1-3H3
InChIKeyJJAIRJWAFWZLAY-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555793
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
CID 63982238
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62635054) is N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is JJAIRJWAFWZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)13(3)7-6-12-11-4-8-16(14,15)9-5-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62635054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).