[(1R,3S)-3-methylcyclopentyl]methyl sulfamate

C7H15NO3S — CID 139354363

IUPAC[(1R,3S)-3-methylcyclopentyl]methyl sulfamate
SMILESC[C@H]1CC[C@@H](COS(N)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-6-2-3-7(4-6)5-11-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)/t6-,7+/m0/s1
InChIKeyKLXUNEFVLOYKBA-NKWVEPMBSA-N
MW193.27 g/mol
LogP0.64
Rot. Bonds3

About [(1R,3S)-3-methylcyclopentyl]methyl sulfamate

[(1R,3S)-3-methylcyclopentyl]methyl sulfamate (PubChem CID 139354363) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [(1R,3S)-3-methylcyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,3S)-3-methylcyclopentyl]methyl sulfamate
PubChem CID139354363
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name[(1R,3S)-3-methylcyclopentyl]methyl sulfamate
SMILESC[C@H]1CC[C@@H](COS(N)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-6-2-3-7(4-6)5-11-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)/t6-,7+/m0/s1
InChIKeyKLXUNEFVLOYKBA-NKWVEPMBSA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl ethanesulfonate
CID 139839990
cyclopropylmethyl hydrogen sulfate
CID 154351350
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
ethane;(1-ethylpiperidin-3-yl)methyl sulfamate
CID 169177383
1-ethyl-3-methylcyclopentane;methane
CID 144878558
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
(3-methylcyclopentyl)methyl 3-chloro-4,5-dihydroxybenzoate
CID 123323960
trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
CID 130451457
[(1S,3S)-3-[6-[(4-chlorophenyl)methoxy]pyrimidin-4-yl]oxycyclopentyl]methyl sulfamate
CID 88586466
[(1S,3S)-3-[[6-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 88586439
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-methylcyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,3S)-3-methylcyclopentyl]methyl sulfamate (CID 139354363) is [(1R,3S)-3-methylcyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,3S)-3-methylcyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,3S)-3-methylcyclopentyl]methyl sulfamate is C[C@H]1CC[C@@H](COS(N)(=O)=O)C1.
What is the InChIKey of [(1R,3S)-3-methylcyclopentyl]methyl sulfamate?
The InChIKey is KLXUNEFVLOYKBA-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-2-3-7(4-6)5-11-12(8,9)10/h6-7H,2-5H2,1H3,(H2,8,9,10)/t6-,7+/m0/s1.
What are the key properties of [(1R,3S)-3-methylcyclopentyl]methyl sulfamate?
[(1R,3S)-3-methylcyclopentyl]methyl sulfamate has a molecular weight of 193.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-methylcyclopentyl]methyl sulfamate is sourced from PubChem (CID 139354363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).