N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide

C8H18N2O3S2 — CID 107030203

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S2/c1-6(14)7(11)9-5-8(2,3)10-15(4,12)13/h6,10,14H,5H2,1-4H3,(H,9,11)
InChIKeyLUUQUVVSBGUFOL-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide

N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide (PubChem CID 107030203) has the molecular formula C8H18N2O3S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
PubChem CID107030203
Molecular FormulaC8H18N2O3S2
Molecular Weight254.38 g/mol
Exact Mass254.08
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S2/c1-6(14)7(11)9-5-8(2,3)10-15(4,12)13/h6,10,14H,5H2,1-4H3,(H,9,11)
InChIKeyLUUQUVVSBGUFOL-UHFFFAOYSA-N
XLogP-0.25
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581
2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]acetic acid
CID 63860059
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
3-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl-propan-2-ylamino]propanoic acid
CID 63860060
N-[2-(methanesulfonamido)-2-methylpropyl]-2-methoxyacetamide
CID 63902886
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111780415
(2R)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-phenylpropanamide
CID 63865578
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylbutanoic acid
CID 79397099
N-[2-(methanesulfonamido)-2-methylpropyl]propane-2-sulfonamide
CID 63902709

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide (CID 107030203) is N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide is CC(S)C(=O)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide?
The InChIKey is LUUQUVVSBGUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S2/c1-6(14)7(11)9-5-8(2,3)10-15(4,12)13/h6,10,14H,5H2,1-4H3,(H,9,11).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide has a molecular weight of 254.38 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-2-sulfanylpropanamide is sourced from PubChem (CID 107030203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).