(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C17H32N2O3S — CID 97475219

IUPAC(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1COCC1CC1
InChIInChI=1S/C17H32N2O3S/c1-14(2)19-13-17(6-8-18(9-7-17)23(3,20)21)10-16(19)12-22-11-15-4-5-15/h14-16H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyMEMVXHOJDORIHH-INIZCTEOSA-N
MW344.52 g/mol
LogP1.94
Rot. Bonds6

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

(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97475219) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97475219
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCC(C)N1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1COCC1CC1
InChIInChI=1S/C17H32N2O3S/c1-14(2)19-13-17(6-8-18(9-7-17)23(3,20)21)10-16(19)12-22-11-15-4-5-15/h14-16H,4-13H2,1-3H3/t16-/m0/s1
InChIKeyMEMVXHOJDORIHH-INIZCTEOSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 97475219) is (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CC(C)N1CC2(CCN(S(C)(=O)=O)CC2)C[C@H]1COCC1CC1.
What is the InChIKey of (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is MEMVXHOJDORIHH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-14(2)19-13-17(6-8-18(9-7-17)23(3,20)21)10-16(19)12-22-11-15-4-5-15/h14-16H,4-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
(3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 344.52 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).