N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide

C14H25N3O2S — CID 56789886

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-7-12(2)11-20(18,19)16-10-13-8-6-9-15-14(13)17(3)4/h6,8-9,12,16H,5,7,10-11H2,1-4H3
InChIKeyIDDCMQLCBUKEEC-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.00
Rot. Bonds8

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide (PubChem CID 56789886) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide
PubChem CID56789886
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide
SMILESCCCC(C)CS(=O)(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C14H25N3O2S/c1-5-7-12(2)11-20(18,19)16-10-13-8-6-9-15-14(13)17(3)4/h6,8-9,12,16H,5,7,10-11H2,1-4H3
InChIKeyIDDCMQLCBUKEEC-UHFFFAOYSA-N
XLogP2.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2831904
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CID 402911
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CID 5267927
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CID 16794395
CID 16794395
CID 16787804
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CID 5267643
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CID 12358233
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CID 33695611
CID 33695611
CID 743631
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CID 829837
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CID 1741689
CID 1741689

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide (CID 56789886) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide is CCCC(C)CS(=O)(=O)NCc1cccnc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide?
The InChIKey is IDDCMQLCBUKEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-7-12(2)11-20(18,19)16-10-13-8-6-9-15-14(13)17(3)4/h6,8-9,12,16H,5,7,10-11H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylpentane-1-sulfonamide is sourced from PubChem (CID 56789886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).