(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C14H26N4O4S — CID 97360273

IUPAC(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H26N4O4S/c1-5-16-9-14(8-12(16)19)10-17(13(20)15(2)3)6-7-18(11-14)23(4,21)22/h5-11H2,1-4H3/t14-/m0/s1
InChIKeyUTBGCALFUYETJX-AWEZNQCLSA-N
MW346.45 g/mol
LogP-0.52
Rot. Bonds2

About (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97360273) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97360273
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Name(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C14H26N4O4S/c1-5-16-9-14(8-12(16)19)10-17(13(20)15(2)3)6-7-18(11-14)23(4,21)22/h5-11H2,1-4H3/t14-/m0/s1
InChIKeyUTBGCALFUYETJX-AWEZNQCLSA-N
XLogP-0.52
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97360273) is (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CCN1C[C@@]2(CC1=O)CN(C(=O)N(C)C)CCN(S(C)(=O)=O)C2.
What is the InChIKey of (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is UTBGCALFUYETJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N4O4S/c1-5-16-9-14(8-12(16)19)10-17(13(20)15(2)3)6-7-18(11-14)23(4,21)22/h5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 346.45 g/mol, XLogP of -0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-N,N-dimethyl-7-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97360273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).