ethane;(1-ethylpiperidin-3-yl)methyl sulfamate

C10H24N2O3S — CID 169177383

IUPACethane;(1-ethylpiperidin-3-yl)methyl sulfamate
SMILESCC.CCN1CCCC(COS(N)(=O)=O)C1
InChIInChI=1S/C8H18N2O3S.C2H6/c1-2-10-5-3-4-8(6-10)7-13-14(9,11)12;1-2/h8H,2-7H2,1H3,(H2,9,11,12);1-2H3
InChIKeyNHBFWJYMEAKUCR-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.96
Rot. Bonds4

About ethane;(1-ethylpiperidin-3-yl)methyl sulfamate

ethane;(1-ethylpiperidin-3-yl)methyl sulfamate (PubChem CID 169177383) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is ethane;(1-ethylpiperidin-3-yl)methyl sulfamate.

Molecular Properties

Compound Nameethane;(1-ethylpiperidin-3-yl)methyl sulfamate
PubChem CID169177383
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Nameethane;(1-ethylpiperidin-3-yl)methyl sulfamate
SMILESCC.CCN1CCCC(COS(N)(=O)=O)C1
InChIInChI=1S/C8H18N2O3S.C2H6/c1-2-10-5-3-4-8(6-10)7-13-14(9,11)12;1-2/h8H,2-7H2,1H3,(H2,9,11,12);1-2H3
InChIKeyNHBFWJYMEAKUCR-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
[(3S)-1-tert-butylpiperidin-3-yl]methyl methanesulfonate
CID 164945767
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712
ethane;1-ethyl-3-methylpiperidine
CID 91361629
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881

Frequently Asked Questions

What is the IUPAC name of ethane;(1-ethylpiperidin-3-yl)methyl sulfamate?
The IUPAC name of ethane;(1-ethylpiperidin-3-yl)methyl sulfamate (CID 169177383) is ethane;(1-ethylpiperidin-3-yl)methyl sulfamate.
What is the SMILES notation for ethane;(1-ethylpiperidin-3-yl)methyl sulfamate?
The canonical SMILES for ethane;(1-ethylpiperidin-3-yl)methyl sulfamate is CC.CCN1CCCC(COS(N)(=O)=O)C1.
What is the InChIKey of ethane;(1-ethylpiperidin-3-yl)methyl sulfamate?
The InChIKey is NHBFWJYMEAKUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S.C2H6/c1-2-10-5-3-4-8(6-10)7-13-14(9,11)12;1-2/h8H,2-7H2,1H3,(H2,9,11,12);1-2H3.
What are the key properties of ethane;(1-ethylpiperidin-3-yl)methyl sulfamate?
ethane;(1-ethylpiperidin-3-yl)methyl sulfamate has a molecular weight of 252.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-ethylpiperidin-3-yl)methyl sulfamate is sourced from PubChem (CID 169177383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).