(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide

C16H31N3O3S — CID 97476059

IUPAC(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)N(C)C)CC2
InChIInChI=1S/C16H31N3O3S/c1-17(2)23(20,21)19-10-8-16(9-11-19)7-6-15(18(16)3)13-22-12-14-4-5-14/h14-15H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyBMVNRCMLWVEAEN-HNNXBMFYSA-N
MW345.51 g/mol
LogP1.15
Rot. Bonds6

About (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide

(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide (PubChem CID 97476059) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
PubChem CID97476059
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide
SMILESCN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)N(C)C)CC2
InChIInChI=1S/C16H31N3O3S/c1-17(2)23(20,21)19-10-8-16(9-11-19)7-6-15(18(16)3)13-22-12-14-4-5-14/h14-15H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyBMVNRCMLWVEAEN-HNNXBMFYSA-N
XLogP1.15
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide (CID 97476059) is (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide is CN1[C@H](COCC2CC2)CCC12CCN(S(=O)(=O)N(C)C)CC2.
What is the InChIKey of (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
The InChIKey is BMVNRCMLWVEAEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-17(2)23(20,21)19-10-8-16(9-11-19)7-6-15(18(16)3)13-22-12-14-4-5-14/h14-15H,4-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide?
(2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide has a molecular weight of 345.51 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-sulfonamide is sourced from PubChem (CID 97476059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).