ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine

C11H25NS — CID 163258642

IUPACethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
SMILESCC.CC(C)N(C)CC1CCCS1
InChIInChI=1S/C9H19NS.C2H6/c1-8(2)10(3)7-9-5-4-6-11-9;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyJJIHSGFAPMXREL-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.25
Rot. Bonds3

About ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine

ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine (PubChem CID 163258642) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
PubChem CID163258642
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Nameethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine
SMILESCC.CC(C)N(C)CC1CCCS1
InChIInChI=1S/C9H19NS.C2H6/c1-8(2)10(3)7-9-5-4-6-11-9;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyJJIHSGFAPMXREL-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 103102318
(2R)-2-ethylthiolane
CID 643409
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
methyl(thiolan-2-ylmethyl)azanide
CID 155624688
1-methyl-3-[1-[4-(methylsulfamoyl)phenyl]ethyl]-1-(thiolan-2-ylmethyl)urea
CID 167745116
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
N,N-dimethyl-N'-piperidin-2-yl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 163173590
N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
CID 170952528
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
1-propan-2-yl-3-(thiolan-2-ylmethyl)thiourea
CID 115690698
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine?
The IUPAC name of ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine (CID 163258642) is ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine?
The canonical SMILES for ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine is CC.CC(C)N(C)CC1CCCS1.
What is the InChIKey of ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine?
The InChIKey is JJIHSGFAPMXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS.C2H6/c1-8(2)10(3)7-9-5-4-6-11-9;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine?
ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(thiolan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 163258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).