(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide

C14H28N4O4S — CID 100906903

IUPAC(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C14H28N4O4S/c1-10(12(19)16-13(20)17-14(2,3)4)18-7-5-6-11(8-18)9-23(15,21)22/h10-11H,5-9H2,1-4H3,(H2,15,21,22)(H2,16,17,19,20)/t10-,11+/m0/s1
InChIKeyKVURKAGZRALJAP-WDEREUQCSA-N
MW348.47 g/mol
LogP-0.00
Rot. Bonds4

About (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide

(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide (PubChem CID 100906903) has the molecular formula C14H28N4O4S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
PubChem CID100906903
Molecular FormulaC14H28N4O4S
Molecular Weight348.47 g/mol
Exact Mass348.18
IUPAC Name(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](CS(N)(=O)=O)C1
InChIInChI=1S/C14H28N4O4S/c1-10(12(19)16-13(20)17-14(2,3)4)18-7-5-6-11(8-18)9-23(15,21)22/h10-11H,5-9H2,1-4H3,(H2,15,21,22)(H2,16,17,19,20)/t10-,11+/m0/s1
InChIKeyKVURKAGZRALJAP-WDEREUQCSA-N
XLogP-0.00
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
N-(ethylcarbamoyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60638694
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63763714
N-(1-adamantylcarbamoyl)-2-(3-ethylpiperidin-1-yl)propanamide
CID 55682682
(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430972
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 91642695
(2R)-N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 99122935
(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 94796955
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 63848300
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide (CID 100906903) is (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](CS(N)(=O)=O)C1.
What is the InChIKey of (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide?
The InChIKey is KVURKAGZRALJAP-WDEREUQCSA-N. The full InChI is InChI=1S/C14H28N4O4S/c1-10(12(19)16-13(20)17-14(2,3)4)18-7-5-6-11(8-18)9-23(15,21)22/h10-11H,5-9H2,1-4H3,(H2,15,21,22)(H2,16,17,19,20)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide?
(2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide has a molecular weight of 348.47 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(tert-butylcarbamoyl)-2-[(3R)-3-(sulfamoylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 100906903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).