(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide

C15H29N3O3S — CID 124626821

IUPAC(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide
SMILESC[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H29N3O3S/c1-13(14(19)16(2)3)22(20,21)18-11-10-17(4)12-15(18)8-6-5-7-9-15/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyIYTSNPWLWFKDGX-ZDUSSCGKSA-N
MW331.48 g/mol
LogP0.74
Rot. Bonds3

About (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide

(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide (PubChem CID 124626821) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide
PubChem CID124626821
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC Name(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide
SMILESC[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC12CCCCC2
InChIInChI=1S/C15H29N3O3S/c1-13(14(19)16(2)3)22(20,21)18-11-10-17(4)12-15(18)8-6-5-7-9-15/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyIYTSNPWLWFKDGX-ZDUSSCGKSA-N
XLogP0.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide (CID 124626821) is (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide is C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)CC12CCCCC2.
What is the InChIKey of (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide?
The InChIKey is IYTSNPWLWFKDGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-13(14(19)16(2)3)22(20,21)18-11-10-17(4)12-15(18)8-6-5-7-9-15/h13H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide?
(2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide has a molecular weight of 331.48 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)sulfonyl]propanamide is sourced from PubChem (CID 124626821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).