(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C16H30N2O3S — CID 97375036

IUPAC(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1C(C)C
InChIInChI=1S/C16H30N2O3S/c1-13(2)18-12-16(10-14(18)11-21-3)6-8-17(9-7-16)22(19,20)15-4-5-15/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyJBFNMXUNIQXLRD-AWEZNQCLSA-N
MW330.49 g/mol
LogP1.69
Rot. Bonds5

About (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97375036) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97375036
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1C(C)C
InChIInChI=1S/C16H30N2O3S/c1-13(2)18-12-16(10-14(18)11-21-3)6-8-17(9-7-16)22(19,20)15-4-5-15/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeyJBFNMXUNIQXLRD-AWEZNQCLSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 97375036) is (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1C(C)C.
What is the InChIKey of (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is JBFNMXUNIQXLRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-13(2)18-12-16(10-14(18)11-21-3)6-8-17(9-7-16)22(19,20)15-4-5-15/h13-15H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
(3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 330.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-cyclopropylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97375036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).